%0 Journal Article %1 RN14 %A Galdamez, A. %A Gutierrez-Hernandez, M. %A Cassels, B.K. %A Saez-Briones, P. %D 2011 %J Journal of the Chilean Chemical Society %K acetylcholine-receptors, agonists, alpha-4-beta-2, crystal cytisine cytisinoid, derivatives, design diffraction, dqcauchile halogenated hydrogen-bond, in-vivo, nicotinic patterns, smoking-cessation, structure, therapeutic-efficacy, x-ray %N 1 %P 595-597 %R 10.4067/S0717-97072011000100016 %T Crystal Structure of (1r,5s)-9-Nitro-1,2,3,4,5,6-Hexahydro-1,5-Methanopyrido1,2-a1,5 Diazocin-8-One (9-Nitrocytisine), C11h13o3n3 %U /brokenurl#<Go to ISI>://WOS:000290700500016 %V 56 %X 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.

@article{RN14, 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.}, added-at = {2019-12-04T03:57:35.000+0100}, author = {Galdamez, A. and Gutierrez-Hernandez, M. and Cassels, B.K. and Saez-Briones, P.}, biburl = {https://www.bibsonomy.org/bibtex/2f3eff120e8be3b6add92081942191373/dqcauchile}, doi = {10.4067/S0717-97072011000100016}, interhash = {bcbbd6ac4ba0642b3b1259dc17dc0cb6}, intrahash = {f3eff120e8be3b6add92081942191373}, issn = {0717-9324}, journal = {Journal of the Chilean Chemical Society}, keywords = {acetylcholine-receptors, agonists, alpha-4-beta-2, crystal cytisine cytisinoid, derivatives, design diffraction, dqcauchile halogenated hydrogen-bond, in-vivo, nicotinic patterns, smoking-cessation, structure, therapeutic-efficacy, x-ray}, number = 1, pages = {595-597}, timestamp = {2019-12-04T03:58:17.000+0100}, 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}, type = {Journal Article}, url = {/brokenurl#<Go to ISI>://WOS:000290700500016}, volume = 56, year = 2011 }