2018 |
Pinto, C; Galdámez, A; Barahona, P; Moris, S; Pena, O Crystal Structure, Raman Scattering and Magnetic Properties of Cucr2-Xzrxse4 and Cucr2-Xsnxse4 Selenospinels Artículo de revista Journal of Magnetism and Magnetic Materials, 456 , pp. 160-166, 2018, ISSN: 0304-8853. Resumen | Enlaces | BibTeX | Etiquetas: colossal crystal geometry magnetic magnetoresistance, properties, raman selenospinel, spectroscopy, structure @article{RN401, title = {Crystal Structure, Raman Scattering and Magnetic Properties of Cucr2-Xzrxse4 and Cucr2-Xsnxse4 Selenospinels}, author = { C. Pinto and A. Gald\'{a}mez and P. Barahona and S. Moris and O. Pena}, url = {/brokenurl#<Go to ISI>://WOS:000427580800023}, doi = {10.1016/j.jmmm.2018.02.023}, issn = {0304-8853}, year = {2018}, date = {2018-01-01}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {456}, pages = {160-166}, publisher = {2018 Elsevier B.V.}, abstract = {Selenospinels, CuCr2-xMxSe4 (M = Zr and Sn), were synthesized via conventional solid-state reactions. The crystal structure of CuCr1.5Sn0.5Se4, CuCr1.7Sn0.3Se4, CuCr1.5Zr0.5Se4, and CuCr1.8Zr0.2Se4 were determined using single-crystal X-ray diffraction. All the phases crystallized in a cubic spinel-type structure. The chemical compositions of the single-crystals were examined using energy-dispersive X-ray analysis (EDS). Powder X-ray diffraction patterns of CuCr1.3Sn0.7Se4 and CuCr1.7Sn0.3Se4 were consistent with phases belonging to the Fd3m Space group. An analysis of the vibrational properties on the single-crystals was performed using Raman scattering measurements. The magnetic properties showed a spin glass behavior with increasing Sn content and ferromagnetic order for CuCr1.7Sn0.3Se4.}, keywords = {colossal crystal geometry magnetic magnetoresistance, properties, raman selenospinel, spectroscopy, structure}, pubstate = {published}, tppubtype = {article} } Selenospinels, CuCr2-xMxSe4 (M = Zr and Sn), were synthesized via conventional solid-state reactions. The crystal structure of CuCr1.5Sn0.5Se4, CuCr1.7Sn0.3Se4, CuCr1.5Zr0.5Se4, and CuCr1.8Zr0.2Se4 were determined using single-crystal X-ray diffraction. All the phases crystallized in a cubic spinel-type structure. The chemical compositions of the single-crystals were examined using energy-dispersive X-ray analysis (EDS). Powder X-ray diffraction patterns of CuCr1.3Sn0.7Se4 and CuCr1.7Sn0.3Se4 were consistent with phases belonging to the Fd3m Space group. An analysis of the vibrational properties on the single-crystals was performed using Raman scattering measurements. The magnetic properties showed a spin glass behavior with increasing Sn content and ferromagnetic order for CuCr1.7Sn0.3Se4. |
Dreyse, P; Alarcon, D A; Galdámez, A; González, I; Cortes-Arriagada, D; Castillo, F; Mella, A Influence of the Anion Nature and Alkyl Substituents in the Behavior of Ionic Liquids Derived from Phenylpyridines Artículo de revista Journal of Molecular Structure, 1154 , pp. 382-391, 2018, ISSN: 0022-2860. Resumen | Enlaces | BibTeX | Etiquetas: binding compounds, crystal design electrochemical-cells, emitting energies, gold ion ionic liquids, nanoparticles, pairs phenylpyridiniums, salts, solvents, structure, temperature, transition, transport, water @article{RN402, title = {Influence of the Anion Nature and Alkyl Substituents in the Behavior of Ionic Liquids Derived from Phenylpyridines}, author = { P. Dreyse and D.A. Alarcon and A. Gald\'{a}mez and I. Gonz\'{a}lez and D. Cortes-Arriagada and F. Castillo and A. Mella}, url = {/brokenurl#<Go to ISI>://WOS:000418212000043}, doi = {10.1016/j.molstruc.2017.10.062}, issn = {0022-2860}, year = {2018}, date = {2018-01-01}, journal = {Journal of Molecular Structure}, volume = {1154}, pages = {382-391}, publisher = {2017 Elsevier B.V.}, abstract = {Quaternary alkyl 2-phenylpyridinium and 2-(2,4-difluorophenyl)pyridinium amines with iodide, hexafluorophosphate and bis(trifluoromethylsulfonyl)imide anions have been fully characterized by H-1 NMR, FT-IR and MALDI mass spectroscopic methods and studied by quantum chemistry calculations. The compounds with bis(trifluoromethylsulfonyl)imide anion can be classified as ionic liquids, because they melt at room temperature. The quaternary amines with iodide and hexafluorophosphate anions are solid at 25 degrees C. The X-ray diffraction characterization of the 2-(2,4-difiuorophenyl)-1-methylphenylpyridinium hexafluorophosphate and 1-ethyl-2-(2,4-difluorophenyl)phenylpyridinium hexafluorophosphate show an extensive series of C-H center dot center dot center dot F, C-F center dot center dot center dot pi and P-F center dot center dot center dot pi it intermolecular interactions, which give rise to a supramolecular network. The relationship between the solid-state structures and the melting points is discussed by the evaluation of the thermal behavior based on experimental data from Differential Scanning Calorimetry (DSC) studies, and also using the analysis of the ion pairs binding energies. These new compounds based on phenylpyridine allow us to grow the diversity of ionic liquids and their crystalline salts, increasing the knowledge about the chemical and physical properties of these ionic species.}, keywords = {binding compounds, crystal design electrochemical-cells, emitting energies, gold ion ionic liquids, nanoparticles, pairs phenylpyridiniums, salts, solvents, structure, temperature, transition, transport, water}, pubstate = {published}, tppubtype = {article} } Quaternary alkyl 2-phenylpyridinium and 2-(2,4-difluorophenyl)pyridinium amines with iodide, hexafluorophosphate and bis(trifluoromethylsulfonyl)imide anions have been fully characterized by H-1 NMR, FT-IR and MALDI mass spectroscopic methods and studied by quantum chemistry calculations. The compounds with bis(trifluoromethylsulfonyl)imide anion can be classified as ionic liquids, because they melt at room temperature. The quaternary amines with iodide and hexafluorophosphate anions are solid at 25 degrees C. The X-ray diffraction characterization of the 2-(2,4-difiuorophenyl)-1-methylphenylpyridinium hexafluorophosphate and 1-ethyl-2-(2,4-difluorophenyl)phenylpyridinium hexafluorophosphate show an extensive series of C-H center dot center dot center dot F, C-F center dot center dot center dot pi and P-F center dot center dot center dot pi it intermolecular interactions, which give rise to a supramolecular network. The relationship between the solid-state structures and the melting points is discussed by the evaluation of the thermal behavior based on experimental data from Differential Scanning Calorimetry (DSC) studies, and also using the analysis of the ion pairs binding energies. These new compounds based on phenylpyridine allow us to grow the diversity of ionic liquids and their crystalline salts, increasing the knowledge about the chemical and physical properties of these ionic species. |
2015 |
Lopez-Vergara, F; Galdámez, A; Manriquez, V; González, G Crystal Structure and Raman Scattering Characterization of Cu2fe1-Xcoxsns4 Chalcogenide Compounds Artículo de revista Solid State Sciences, 49 , pp. 54-60, 2015, ISSN: 1293-2558. Resumen | Enlaces | BibTeX | Etiquetas: analysis, cells chalcogenide, crystal cu2znsns4, raman stannite, structure @article{RN257, title = {Crystal Structure and Raman Scattering Characterization of Cu2fe1-Xcoxsns4 Chalcogenide Compounds}, author = { F. Lopez-Vergara and A. Gald\'{a}mez and V. Manriquez and G. Gonz\'{a}lez}, url = {/brokenurl#<Go to ISI>://WOS:000364535900008}, doi = {10.1016/j.solidstatesciences.2015.09.010}, issn = {1293-2558}, year = {2015}, date = {2015-01-01}, journal = {Solid State Sciences}, volume = {49}, pages = {54-60}, publisher = {2015 Elsevier Masson SAS.}, abstract = {This work reports the synthesis by solid-state reaction of Cu2Fe1-xCoxSnS4 solid solutions. Crystal structures of Cu2Fe0.8Co0.2SnS4 and Cu2Fe0.6Co0.4SnS4 were investigated by single crystal X-ray diffraction. Both phases crystallize in the tetragonal stannite-type structure. The volume of the tetrahedral [MS4] (M = Fe, Co) presented the highest distortion, with Edge-Length Distortion (ELD) indices similar to 2% from the ideal tetrahedron. The powder X-ray diffraction (XRD) patterns of Cu2Fe1-xCoxSnS4 (x = 0.2, 0.4, 0.6 and 0.8) has been refined by Rietveld method. No secondary phases were detected in XRD patterns. An analysis of the vibrational properties of Cu2Fe1-xCoxSnS4 was performed using Raman scattering measurements. The Raman peaks were analyzed by fitting of the spectra and subsequently identifying the vibrational modes by comparison with experimental and theoretical data from Cu2FeSnS4 (CFTS) and Cu2CoSnS4 (CCTS) end-members. The spectra from Cu2Fe1-xCoxSnS4 show that there is a variation in the frequency of the main A1 peak at similar to 320 cm(-1) together with a decrease in the secondary mode intensity at similar to 285 cm(-1). Full Width at Half Maximum (FWHM) and the intensity of the Raman peaks reflect the high crystallinity of Cu2Fe1-xCoxSnS4 solid solutions. The oxidation states of the metals were confirmed by temperature-dependent magnetization measurements performed in the antiferromagnetic Cu2Fe1-xCoxSnS4 solid solutions.}, keywords = {analysis, cells chalcogenide, crystal cu2znsns4, raman stannite, structure}, pubstate = {published}, tppubtype = {article} } This work reports the synthesis by solid-state reaction of Cu2Fe1-xCoxSnS4 solid solutions. Crystal structures of Cu2Fe0.8Co0.2SnS4 and Cu2Fe0.6Co0.4SnS4 were investigated by single crystal X-ray diffraction. Both phases crystallize in the tetragonal stannite-type structure. The volume of the tetrahedral [MS4] (M = Fe, Co) presented the highest distortion, with Edge-Length Distortion (ELD) indices similar to 2% from the ideal tetrahedron. The powder X-ray diffraction (XRD) patterns of Cu2Fe1-xCoxSnS4 (x = 0.2, 0.4, 0.6 and 0.8) has been refined by Rietveld method. No secondary phases were detected in XRD patterns. An analysis of the vibrational properties of Cu2Fe1-xCoxSnS4 was performed using Raman scattering measurements. The Raman peaks were analyzed by fitting of the spectra and subsequently identifying the vibrational modes by comparison with experimental and theoretical data from Cu2FeSnS4 (CFTS) and Cu2CoSnS4 (CCTS) end-members. The spectra from Cu2Fe1-xCoxSnS4 show that there is a variation in the frequency of the main A1 peak at similar to 320 cm(-1) together with a decrease in the secondary mode intensity at similar to 285 cm(-1). Full Width at Half Maximum (FWHM) and the intensity of the Raman peaks reflect the high crystallinity of Cu2Fe1-xCoxSnS4 solid solutions. The oxidation states of the metals were confirmed by temperature-dependent magnetization measurements performed in the antiferromagnetic Cu2Fe1-xCoxSnS4 solid solutions. |
2014 |
Lopez-Vergara, F; Galdámez, A; Manriquez, V; Barahona, P; Pena, O Magnetic Properties and Crystal Structure of Solid-Solution Cu2mnxfe1-Xsns4 Chalcogenides with Stannite-Type Structure Artículo de revista Physica Status Solidi B-Basic Solid State Physics, 251 (5), pp. 958-964, 2014, ISSN: 0370-1972. Resumen | Enlaces | BibTeX | Etiquetas: chalcogenides, crystal cu2fesns4, kesterite, magnetic model properties, semiconductors, structure, tetrahedra volumes @article{RN206, title = {Magnetic Properties and Crystal Structure of Solid-Solution Cu2mnxfe1-Xsns4 Chalcogenides with Stannite-Type Structure}, author = { F. Lopez-Vergara and A. Gald\'{a}mez and V. Manriquez and P. Barahona and O. Pena}, url = {/brokenurl#<Go to ISI>://WOS:000335983000008}, doi = {10.1002/pssb.201350038}, issn = {0370-1972}, year = {2014}, date = {2014-01-01}, journal = {Physica Status Solidi B-Basic Solid State Physics}, volume = {251}, number = {5}, pages = {958-964}, publisher = {2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.}, abstract = {New solid solutions Cu2MnxFe1-xSnS4 were prepared by direct combination of the corresponding elements at 850 degrees C. The crystal structure of Cu2Mn0.4Fe0.6SnS4 was determined by single-crystal X-ray diffraction. This phase is described in the space group I (4) over bar 2m where each cation is tetrahedrally coordinated to four sulfur anions in a sphalerite-like arrangement. The XRD patterns of the solid solutions Cu2MnxFe1-xSnS4 were fully indexed in the space group I (4) over bar 2m and the values of the cell parameter for all phases obey the usual linear Vegard behavior. A progressive evolution of the magnetic moment in the paramagnetic state is observed when increasing the content of manganese. The negative values of the Curie-Weiss constant, indicate an antiferromagnetic (AF) behavior with AF interactions, weaker by more than one order of magnitude compared to other diluted magnetic semiconductors (DMSs) with zinc-blende or wurzite crystal structure., [GRAPHICS],}, keywords = {chalcogenides, crystal cu2fesns4, kesterite, magnetic model properties, semiconductors, structure, tetrahedra volumes}, pubstate = {published}, tppubtype = {article} } New solid solutions Cu2MnxFe1-xSnS4 were prepared by direct combination of the corresponding elements at 850 degrees C. The crystal structure of Cu2Mn0.4Fe0.6SnS4 was determined by single-crystal X-ray diffraction. This phase is described in the space group I (4) over bar 2m where each cation is tetrahedrally coordinated to four sulfur anions in a sphalerite-like arrangement. The XRD patterns of the solid solutions Cu2MnxFe1-xSnS4 were fully indexed in the space group I (4) over bar 2m and the values of the cell parameter for all phases obey the usual linear Vegard behavior. A progressive evolution of the magnetic moment in the paramagnetic state is observed when increasing the content of manganese. The negative values of the Curie-Weiss constant, indicate an antiferromagnetic (AF) behavior with AF interactions, weaker by more than one order of magnitude compared to other diluted magnetic semiconductors (DMSs) with zinc-blende or wurzite crystal structure., [GRAPHICS], |
Mutis, A; Palma, R; Venthur, H; Iturriaga-Vasquez, P; Faundez-Parraguez, M; Mella-Herrera, R; Kontodimas, D; Lobos, C; Quiroz, A Neotropical Entomology, 43 (3), pp. 266-275, 2014, ISSN: 1519-566x. Resumen | Enlaces | BibTeX | Etiquetas: alignment, anopheles-gambiae, antheraea-polyphemus, binding bombyx-mori, chemical crystal-structure, docking, ecology, ligand lymantria-dispar, modeling, molecular multiple nmr pheromone-binding protein, release, sequence sex-pheromone, site, structure, z)-7 @article{RN196, title = {Molecular Characterization and in Silico Analysis of the Pheromone-Binding Protein of the European Grapevine Moth Lobesia Botrana (Denis & Schiffermuller) (Lepidoptera, Tortricidae)}, author = { A. Mutis and R. Palma and H. Venthur and P. Iturriaga-Vasquez and M. Faundez-Parraguez and R. Mella-Herrera and D. Kontodimas and C. Lobos and A. Quiroz}, url = {/brokenurl#<Go to ISI>://WOS:000335640500010}, doi = {10.1007/s13744-014-0212-2}, issn = {1519-566x}, year = {2014}, date = {2014-01-01}, journal = {Neotropical Entomology}, volume = {43}, number = {3}, pages = {266-275}, abstract = {The European grapevine moth Lobesia botrana (Denis & Schiffermuller) is an economically important insect in Europe. The species invaded vineyards in Chile, Argentina, and California during 2008-2010 causing severe problems. A major component of the sex pheromone, (E,Z)-7,9-dodecadienyl acetate (E7,Z9-12:Ac), is used in a mating disruption technique when grapevine moth populations are low or to monitor pest numbers. It is thought that these sexual pheromones are blends of volatiles that typically are specific to a species and are transported in the insect antenna by pheromone-binding proteins (PBPs) across the sensillar lymph to the olfactory receptors. Currently, an increasing number of Lepidopteran PBPs are being identified and cloned. However, there are no studies of the olfactory system and of proteins involved in the olfactory perception of L. botrana at the molecular level. In the present study, we report, for the first time, the sequence of a PBP from L. botrana (LbotPBP), which was determined using reverse transcription technology. Homology modeling was used to generate the three-dimensional protein structure. The model suggests that PBP consists of six alpha-helices as follows: Lys2-Met23 (alpha 1), Thr28-Phe36 (alpha 2), Arg46-Leu59 (alpha 3), His70-Asn80 (alpha 4), Glu84-Asn100 (alpha 5), and Cys108-Lys125 (alpha 6), held together by three disulfide bridges, Cys19-Cys54, Cys50-Cys108, and Cys97-Cys117. Docking simulations based on this model suggested that Trp114 is a keywords residue in the recognition of acetate pheromones, such as E7,Z9-12:Ac. In silico results in this study are consistent with previous findings in which E7,Z9-12:Ac acts as the most active compound in behavioral and electroantennographic assays.}, keywords = {alignment, anopheles-gambiae, antheraea-polyphemus, binding bombyx-mori, chemical crystal-structure, docking, ecology, ligand lymantria-dispar, modeling, molecular multiple nmr pheromone-binding protein, release, sequence sex-pheromone, site, structure, z)-7}, pubstate = {published}, tppubtype = {article} } The European grapevine moth Lobesia botrana (Denis & Schiffermuller) is an economically important insect in Europe. The species invaded vineyards in Chile, Argentina, and California during 2008-2010 causing severe problems. A major component of the sex pheromone, (E,Z)-7,9-dodecadienyl acetate (E7,Z9-12:Ac), is used in a mating disruption technique when grapevine moth populations are low or to monitor pest numbers. It is thought that these sexual pheromones are blends of volatiles that typically are specific to a species and are transported in the insect antenna by pheromone-binding proteins (PBPs) across the sensillar lymph to the olfactory receptors. Currently, an increasing number of Lepidopteran PBPs are being identified and cloned. However, there are no studies of the olfactory system and of proteins involved in the olfactory perception of L. botrana at the molecular level. In the present study, we report, for the first time, the sequence of a PBP from L. botrana (LbotPBP), which was determined using reverse transcription technology. Homology modeling was used to generate the three-dimensional protein structure. The model suggests that PBP consists of six alpha-helices as follows: Lys2-Met23 (alpha 1), Thr28-Phe36 (alpha 2), Arg46-Leu59 (alpha 3), His70-Asn80 (alpha 4), Glu84-Asn100 (alpha 5), and Cys108-Lys125 (alpha 6), held together by three disulfide bridges, Cys19-Cys54, Cys50-Cys108, and Cys97-Cys117. Docking simulations based on this model suggested that Trp114 is a keywords residue in the recognition of acetate pheromones, such as E7,Z9-12:Ac. In silico results in this study are consistent with previous findings in which E7,Z9-12:Ac acts as the most active compound in behavioral and electroantennographic assays. |
2013 |
Lopez-Vergara, F; Galdámez, A; Manriquez, V; Barahona, P; Pena, O Cu2mn1-Xcoxsns4: Novel Kesterite Type Solid Solutions Artículo de revista Journal of Solid State Chemistry, 198 , pp. 386-391, 2013, ISSN: 0022-4596. Resumen | Enlaces | BibTeX | Etiquetas: alloys, chalcogenide, chalcogenides, crystal crystal-structures, gap, kesterite, mixed-crystals, series, solar-cells, solution stannite, structure, synthesis, tetrahedra volumes, zn @article{RN147, title = {Cu2mn1-Xcoxsns4: Novel Kesterite Type Solid Solutions}, author = { F. Lopez-Vergara and A. Gald\'{a}mez and V. Manriquez and P. Barahona and O. Pena}, url = {/brokenurl#<Go to ISI>://WOS:000314320800056}, doi = {10.1016/j.jssc.2012.10.026}, issn = {0022-4596}, year = {2013}, date = {2013-01-01}, journal = {Journal of Solid State Chemistry}, volume = {198}, pages = {386-391}, publisher = {2012 Published by Elsevier Inc.}, abstract = {A new family of Cu2Mn1-xCoxSnS4 chalcogenides has been synthesized by conventional solid-state reactions at 850 degrees C. The reactions products were characterized by powder X-ray diffraction (XRD), energy-dispersive X-ray analysis (SEM-EDS), Raman spectroscopy and magnetic susceptibility. The crystal structures of two members of the solid solution series Cu2Mn0.4Co0.6SnS4 and Cu2Mn0.2Co0.8SnS4 have been determined by single-crystal X-ray diffraction. Both phases crystallize in the tetragonal kesterite-type structure (space group I (4) over bar). The distortions of the tetrahedral volume of Cu2Mn0.4 Co0.6SnS4 and Cu2Mn0.2Co0.8SnS4 were calculated and compared with the corresponding differences in the Cu2MnSnS4 (stannite-type) end-member. The compounds show nearly the same Raman spectral features. Temperature-dependent magnetization measurements (ZFC/FC) and high-temperature susceptibility indicate that these solid solutions are antiferromagnetic.}, keywords = {alloys, chalcogenide, chalcogenides, crystal crystal-structures, gap, kesterite, mixed-crystals, series, solar-cells, solution stannite, structure, synthesis, tetrahedra volumes, zn}, pubstate = {published}, tppubtype = {article} } A new family of Cu2Mn1-xCoxSnS4 chalcogenides has been synthesized by conventional solid-state reactions at 850 degrees C. The reactions products were characterized by powder X-ray diffraction (XRD), energy-dispersive X-ray analysis (SEM-EDS), Raman spectroscopy and magnetic susceptibility. The crystal structures of two members of the solid solution series Cu2Mn0.4Co0.6SnS4 and Cu2Mn0.2Co0.8SnS4 have been determined by single-crystal X-ray diffraction. Both phases crystallize in the tetragonal kesterite-type structure (space group I (4) over bar). The distortions of the tetrahedral volume of Cu2Mn0.4 Co0.6SnS4 and Cu2Mn0.2Co0.8SnS4 were calculated and compared with the corresponding differences in the Cu2MnSnS4 (stannite-type) end-member. The compounds show nearly the same Raman spectral features. Temperature-dependent magnetization measurements (ZFC/FC) and high-temperature susceptibility indicate that these solid solutions are antiferromagnetic. |
2011 |
Galdámez, A; Garcia-Beltran, O; Cassels, B K Hydrogen-Bonded Supramolecular Array in the Crystal Structure of Ethyl 7-Hydroxy-2-Oxo-2h-Chromene-3-Carboxylate Monohydrate Artículo de revista Journal of the Chilean Chemical Society, 56 (1), pp. 546-548, 2011, ISSN: 0717-9324. Resumen | Enlaces | BibTeX | Etiquetas: coumarins, crystal design diffraction, patterns, structure, x-ray @article{RN26b, title = {Hydrogen-Bonded Supramolecular Array in the Crystal Structure of Ethyl 7-Hydroxy-2-Oxo-2h-Chromene-3-Carboxylate Monohydrate}, author = {A. Gald\'{a}mez and O. Garcia-Beltran and B.K. Cassels}, url = {/brokenurl#<Go to ISI>://WOS:000290700500005}, doi = {10.4067/S0717-97072011000100005}, issn = {0717-9324}, year = {2011}, date = {2011-01-01}, journal = {Journal of the Chilean Chemical Society}, volume = {56}, number = {1}, pages = {546-548}, abstract = {The crystal structure of ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate monohydrate (1), C(12)H(10)O(5).H(2)O, was established by X-ray crystallographic analysis. The molecule of the title compound is essentially planar except for the carboxylate substituent group. The crystal packing supramolecular array arises from hydrogen bonds and intermolecular C-H center dot center dot center dot O=C contacts of the organic molecules and solvent water molecules, with graph-Set descriptor R(4)(2)(8), R(1)(2) (6), R(4)(4)(20) and C(5) motifs. The water molecules are involved as donors and acceptors. The hydrogen bond and intermolecular interaction network is reinforced by stacking of the sheet through pi-pi interactions.}, keywords = {coumarins, crystal design diffraction, patterns, structure, x-ray}, pubstate = {published}, tppubtype = {article} } The crystal structure of ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate monohydrate (1), C(12)H(10)O(5).H(2)O, was established by X-ray crystallographic analysis. The molecule of the title compound is essentially planar except for the carboxylate substituent group. The crystal packing supramolecular array arises from hydrogen bonds and intermolecular C-H center dot center dot center dot O=C contacts of the organic molecules and solvent water molecules, with graph-Set descriptor R(4)(2)(8), R(1)(2) (6), R(4)(4)(20) and C(5) motifs. The water molecules are involved as donors and acceptors. The hydrogen bond and intermolecular interaction network is reinforced by stacking of the sheet through pi-pi interactions. |
Galdámez, A; Gutierrez-Hernandez, M; Cassels, B K; Saez-Briones, P Crystal Structure of (1r,5s)-9-Nitro-1,2,3,4,5,6-Hexahydro-1,5-Methanopyrido[1,2-a][1,5] Diazocin-8-One (9-Nitrocytisine), C11h13o3n3 Artículo de revista Journal of the Chilean Chemical Society, 56 (1), pp. 595-597, 2011, ISSN: 0717-9324. Resumen | Enlaces | BibTeX | Etiquetas: agonists, alpha-4-beta-2, crystal cytisine cytisinoid, derivatives, design diffraction, halogenated hydrogen-bond, in-vivo, nicotinic patterns, smoking-cessation, structure, therapeutic-efficacy, x-ray @article{RN14g, title = {Crystal Structure of (1r,5s)-9-Nitro-1,2,3,4,5,6-Hexahydro-1,5-Methanopyrido[1,2-a][1,5] Diazocin-8-One (9-Nitrocytisine), C11h13o3n3}, author = {A. Gald\'{a}mez and M. Gutierrez-Hernandez and B.K. Cassels and P. Saez-Briones}, url = {/brokenurl#<Go to ISI>://WOS:000290700500016}, doi = {10.4067/S0717-97072011000100016}, issn = {0717-9324}, year = {2011}, date = {2011-01-01}, journal = {Journal of the Chilean Chemical Society}, volume = {56}, number = {1}, pages = {595-597}, abstract = {The title compound (1, trivial name: 9 (or 3)-nitrocytisine) crystallizes with two independent molecules in the asymmetric unit. In its structure two rings form a bispidine framework that is fused to a 3-nitro-2-pyridone group. The half-normal probability plot reveals that the two molecules do not show any significant geometrical differences, except in conformations of the nitro-group, which is involved in intermolecular interactions. The crystal packing structure of the title compound is described in terms of three-dimensional supramolecular arrays built up from chains of N-H center dot center dot center dot O (nitro-group), hydrogen bonds and weak intermolecular C-H center dot center dot center dot O=C interactions, with graph-set descriptors C-2(2)(6) and C-2(2)(10) motifs, which together result in R-4(4)(26) rings motifs. These chains are additionally stabilized by intermolecular NO2.pi interactions.}, keywords = {agonists, alpha-4-beta-2, crystal cytisine cytisinoid, derivatives, design diffraction, halogenated hydrogen-bond, in-vivo, nicotinic patterns, smoking-cessation, structure, therapeutic-efficacy, x-ray}, pubstate = {published}, tppubtype = {article} } The title compound (1, trivial name: 9 (or 3)-nitrocytisine) crystallizes with two independent molecules in the asymmetric unit. In its structure two rings form a bispidine framework that is fused to a 3-nitro-2-pyridone group. The half-normal probability plot reveals that the two molecules do not show any significant geometrical differences, except in conformations of the nitro-group, which is involved in intermolecular interactions. The crystal packing structure of the title compound is described in terms of three-dimensional supramolecular arrays built up from chains of N-H center dot center dot center dot O (nitro-group), hydrogen bonds and weak intermolecular C-H center dot center dot center dot O=C interactions, with graph-set descriptors C-2(2)(6) and C-2(2)(10) motifs, which together result in R-4(4)(26) rings motifs. These chains are additionally stabilized by intermolecular NO2.pi interactions. |
2018 |
Crystal Structure, Raman Scattering and Magnetic Properties of Cucr2-Xzrxse4 and Cucr2-Xsnxse4 Selenospinels Artículo de revista Journal of Magnetism and Magnetic Materials, 456 , pp. 160-166, 2018, ISSN: 0304-8853. |
Influence of the Anion Nature and Alkyl Substituents in the Behavior of Ionic Liquids Derived from Phenylpyridines Artículo de revista Journal of Molecular Structure, 1154 , pp. 382-391, 2018, ISSN: 0022-2860. |
2015 |
Crystal Structure and Raman Scattering Characterization of Cu2fe1-Xcoxsns4 Chalcogenide Compounds Artículo de revista Solid State Sciences, 49 , pp. 54-60, 2015, ISSN: 1293-2558. |
2014 |
Magnetic Properties and Crystal Structure of Solid-Solution Cu2mnxfe1-Xsns4 Chalcogenides with Stannite-Type Structure Artículo de revista Physica Status Solidi B-Basic Solid State Physics, 251 (5), pp. 958-964, 2014, ISSN: 0370-1972. |
Neotropical Entomology, 43 (3), pp. 266-275, 2014, ISSN: 1519-566x. |
2013 |
Cu2mn1-Xcoxsns4: Novel Kesterite Type Solid Solutions Artículo de revista Journal of Solid State Chemistry, 198 , pp. 386-391, 2013, ISSN: 0022-4596. |
2011 |
Hydrogen-Bonded Supramolecular Array in the Crystal Structure of Ethyl 7-Hydroxy-2-Oxo-2h-Chromene-3-Carboxylate Monohydrate Artículo de revista Journal of the Chilean Chemical Society, 56 (1), pp. 546-548, 2011, ISSN: 0717-9324. |
Crystal Structure of (1r,5s)-9-Nitro-1,2,3,4,5,6-Hexahydro-1,5-Methanopyrido[1,2-a][1,5] Diazocin-8-One (9-Nitrocytisine), C11h13o3n3 Artículo de revista Journal of the Chilean Chemical Society, 56 (1), pp. 595-597, 2011, ISSN: 0717-9324. |