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[6-(呋喃-2-基)-7-硝基-2,3,4,6,7,8-六氢-1H-吡啶并[1,2-a]嘧啶-9-基](苯基)甲酮

[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.

作者信息

Zhang Wen-Feng, Xia Jian-Hui, Xu Zhao-Hui, Wang Li-Ben, Yu Chu-Yi

机构信息

College of Chemistry and Chemical Engineering, Jiang Xi Normal University, Nanchang, Jiang Xi 330022, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 31;69(Pt 6):o986. doi: 10.1107/S160053681301386X. Print 2013 Jun 1.

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.

摘要

标题化合物C19H19N3O4的不对称单元包含两个构象差异极小的分子;其中一个分子嘧啶环上的一个C原子以0.688 (15):0.312 (15)的比例无序。在两个分子中,稠合的吡啶环和嘧啶环均呈半椅式构象。在两个分子中,呋喃环和苯环之间的二面角分别为81.00 (13)°和84.99 (10)°。分子结构通过分子内N-H⋯O氢键得以巩固。在晶体中,C-H⋯O氢键将分子连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9220/3685119/612d1278fd00/e-69-0o986-fig1.jpg

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