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2-苯甲酰基吡啶缩氨基脲

2-Benzoyl-pyridine semicarbazone.

作者信息

de Lima Daniel F, Pérez-Rebolledo Anayive, Ellena Javier, Beraldo Heloisa

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o177. doi: 10.1107/S1600536807064628.

DOI:10.1107/S1600536807064628
PMID:21200740
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2915240/
Abstract

The title compound, C(13)H(12)N(4)O, crystallizes with two independent mol-ecules in the asymmetric unit. The compound crystallizes as the ZE isomer, where Z and E refer to the configuration around the C=N and N-C bonds, respectively, with an N-H⋯N(py) (py is pyridine) intra-molecular hydrogen bond. The dihedral angles between the least-squares planes through the semicarbazone group and the pyridyl ring are 22.70 (9) and 27.26 (9)° for the two mol-ecules. There are intermolecular N-H⋯O hydrogen bonds.

摘要

标题化合物C(13)H(12)N(4)O在不对称单元中以两个独立分子结晶。该化合物以ZE异构体形式结晶，其中Z和E分别指C=N和N-C键周围的构型，存在分子内N-H⋯N(吡啶)氢键。对于两个分子，通过半卡巴腙基团和吡啶环的最小二乘平面之间的二面角分别为22.70 (9)°和27.26 (9)°。存在分子间N-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba92/2915240/4cde4b2c840e/e-64-0o177-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba92/2915240/2aa21076e0cd/e-64-0o177-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba92/2915240/4cde4b2c840e/e-64-0o177-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba92/2915240/2aa21076e0cd/e-64-0o177-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba92/2915240/4cde4b2c840e/e-64-0o177-fig2.jpg

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