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

ANTONIO GALDÁMEZ ^[1] ; MANUEL GUTIÉRREZ-HERNÁNDEZ ^[1] ; BRUCE K CASSELS ^[1] ; PATRICIO SÁEZ-BRIONES ^[2]
1. [1] Universidad de Chile
  
  Universidad de Chile
  
  Santiago, Chile
2. [2] Universidad de Santiago de Chile
  
  Universidad de Santiago de Chile
  
  Santiago, Chile
Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 56, Nº. 1, 2011, págs. 595-597
Idioma: inglés
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Resumen
- 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 C²2(6) and C²2(JQ) motifs, which together result in R(4)4(26) rings motifs. These chains are additionally stabilized by intermolecular NO2π interactions.