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[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa-hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen-yl)methanone.

ABSTRACT: The asymmetric unit of the title compound, C19H19N3O4, contains two mol-ecules with very few conformational differences; a C atom in the pyrimidine ring in one of the mol-ecules is disordered in a 0.688?(15):0.312?(15) ratio. In both mol-ecules, 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 mol-ecules. The mol-ecular structure is consolidated by intra-molecular N-H?O hydrogen bonding. In the crystal, C-H?O hydrogen bonds connect the molecules into a three-dimensional network.

SUBMITTER: Zhang WF

PROVIDER: S-EPMC3685119 | biostudies-other | 2013 Jun

REPOSITORIES: biostudies-other

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[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexa-hydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phen-yl)methanone.

Zhang Wen-Feng WF Xia Jian-Hui JH Xu Zhao-Hui ZH Wang Li-Ben LB Yu Chu-Yi CY

Acta crystallographica. Section E, Structure reports online 20130531 Pt 6

The asymmetric unit of the title compound, C19H19N3O4, contains two mol-ecules with very few conformational differences; a C atom in the pyrimidine ring in one of the mol-ecules is disordered in a 0.688 (15):0.312 (15) ratio. In both mol-ecules, 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 mol-ecules. The mol-ecular structure is consolidated by intra-molecular N-H⋯O hydrog ...[more]

PMID: 23795138

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