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

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 s...

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Autores principales:	GALDÁMEZ,ANTONIO, GUTIÉRREZ-HERNÁNDEZ,MANUEL, CASSELS,BRUCE K, SÁEZ-BRIONES,PATRICIO
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2011
Materias:	crystal structure X-ray diffraction cytisinoid
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072011000100016
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spelling	oai:scielo:S0717-970720110001000162011-06-17CRYSTAL 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), C11H13O3N3GALDÁMEZ,ANTONIOGUTIÉRREZ-HERNÁNDEZ,MANUELCASSELS,BRUCE KSÁEZ-BRIONES,PATRICIO crystal structure X-ray diffraction cytisinoid 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.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.56 n.1 20112011-01-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072011000100016en10.4067/S0717-97072011000100016
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	crystal structure X-ray diffraction cytisinoid
spellingShingle	crystal structure X-ray diffraction cytisinoid GALDÁMEZ,ANTONIO GUTIÉRREZ-HERNÁNDEZ,MANUEL CASSELS,BRUCE K SÁEZ-BRIONES,PATRICIO 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
description	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.
author	GALDÁMEZ,ANTONIO GUTIÉRREZ-HERNÁNDEZ,MANUEL CASSELS,BRUCE K SÁEZ-BRIONES,PATRICIO
author_facet	GALDÁMEZ,ANTONIO GUTIÉRREZ-HERNÁNDEZ,MANUEL CASSELS,BRUCE K SÁEZ-BRIONES,PATRICIO
author_sort	GALDÁMEZ,ANTONIO
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
title_short	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
title_full	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
title_fullStr	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
title_full_unstemmed	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
title_sort	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
publisher	Sociedad Chilena de Química
publishDate	2011
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072011000100016
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_version_	1718445443012100096

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

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