[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa­hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen­yl)methanone

The asymmetric unit of the title compound, C(19)H(19)N(3)O(4), contains two mol­ecules with very few conformational differences; a C atom in the pyrimidine ring in one of the mol­ecules is disordered in a 0.688 (15):0.312 (15) ratio. In both mol­ecules, the fused pyridine and pyrimidine rings adopt...

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Autores principales: Zhang, Wen-Feng, Xia, Jian-Hui, Xu, Zhao-Hui, Wang, Li-Ben, Yu, Chu-Yi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685119/
https://www.ncbi.nlm.nih.gov/pubmed/23795138
http://dx.doi.org/10.1107/S160053681301386X
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author Zhang, Wen-Feng
Xia, Jian-Hui
Xu, Zhao-Hui
Wang, Li-Ben
Yu, Chu-Yi
author_facet Zhang, Wen-Feng
Xia, Jian-Hui
Xu, Zhao-Hui
Wang, Li-Ben
Yu, Chu-Yi
author_sort Zhang, Wen-Feng
collection PubMed
description The asymmetric unit of the title compound, C(19)H(19)N(3)O(4), contains two mol­ecules with very few conformational differences; a C atom in the pyrimidine ring in one of the mol­ecules is disordered in a 0.688 (15):0.312 (15) ratio. In both mol­ecules, the fused pyridine and pyrimidine rings adopt half-chair conformations. The dihedral angles between the furan and benzene rings are 81.00 (13) and 84.99 (10)° in the two mol­ecules. The mol­ecular structure is consolidated by intra­molecular N—H⋯O hydrogen bonding. In the crystal, C—H⋯O hydrogen bonds connect the molecules into a three-dimensional network.
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spelling pubmed-36851192013-06-21 [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa­hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen­yl)methanone Zhang, Wen-Feng Xia, Jian-Hui Xu, Zhao-Hui Wang, Li-Ben Yu, Chu-Yi Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(19)H(19)N(3)O(4), contains two mol­ecules with very few conformational differences; a C atom in the pyrimidine ring in one of the mol­ecules is disordered in a 0.688 (15):0.312 (15) ratio. In both mol­ecules, the fused pyridine and pyrimidine rings adopt half-chair conformations. The dihedral angles between the furan and benzene rings are 81.00 (13) and 84.99 (10)° in the two mol­ecules. The mol­ecular structure is consolidated by intra­molecular N—H⋯O hydrogen bonding. In the crystal, C—H⋯O hydrogen bonds connect the molecules into a three-dimensional network. International Union of Crystallography 2013-05-31 /pmc/articles/PMC3685119/ /pubmed/23795138 http://dx.doi.org/10.1107/S160053681301386X Text en © Zhang et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Zhang, Wen-Feng
Xia, Jian-Hui
Xu, Zhao-Hui
Wang, Li-Ben
Yu, Chu-Yi
[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa­hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen­yl)methanone
title [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa­hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen­yl)methanone
title_full [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa­hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen­yl)methanone
title_fullStr [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa­hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen­yl)methanone
title_full_unstemmed [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa­hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen­yl)methanone
title_short [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa­hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen­yl)methanone
title_sort [6-(furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa­hydro-1h-pyrido[1,2-a]pyrimidin-9-yl](phen­yl)methanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685119/
https://www.ncbi.nlm.nih.gov/pubmed/23795138
http://dx.doi.org/10.1107/S160053681301386X
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