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), C 11H 13O 3N 3

Galdamez, A.; Gutierrez-Hernandez, M; Cassels, B.K.; Saez-Briones, P


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?O (nitro-group), hydrogen bonds and weak intermolecular C-H?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 NO 2?? interactions.

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Título de la Revista: Journal of the Chilean Chemical Society
Volumen: 56
Número: 1
Editorial: 2013
Fecha de publicación: 2011
Página de inicio: 595
Página final: 597