2011 |
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. |
2011 |
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. |