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4-{[2-(2,4-二硝基苯基)肼叉基]甲基}苯酚乙醇半溶剂化物

4-{[2-(2,4-Dinitro-phen-yl)hydrazinyl-idene]meth-yl}phenol ethanol hemisolvate.

作者信息

Zhai Xiu-Rong

机构信息

Department of Chemisry and Chemical Engineering, Jining University, 273155 Qufu, Shandong, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 13;66(Pt 12):o3142. doi: 10.1107/S1600536810045782.

DOI:10.1107/S1600536810045782
PMID:21589441
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3011783/
Abstract

In the title compound, C(13)H(10)N(4)O(5)·0.5C(2)H(5)OH, the two benzene rings form a dihedral angle of 4.29 (9)°. The ethanol solvent mol-ecule was treated as disordered between two orientations related by symmetry (center of inversion), with occupancies fixed at 0.5. The crystal packing, stabilized by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds and π-π inter-actions [indicated by the short distance of 3.7299 (7) Å between the centroids of benzene rings from neighbouring mol-ecules], exhibits short inter-molecular O⋯O contacts of 2.8226 (3) Å.

摘要

在标题化合物C(13)H(10)N(4)O(5)·0.5C(2)H(5)OH中，两个苯环形成的二面角为4.29 (9)°。乙醇溶剂分子被视为在通过对称（反演中心）相关的两个取向之间无序排列，占有率固定为0.5。通过分子间O-H⋯O和N-H⋯O氢键以及π-π相互作用（相邻分子苯环质心之间的短距离为3.7299 (7) Å表明）稳定的晶体堆积表现出2.8226 (3) Å的短分子间O⋯O接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b4e4/3011783/42d4e27552ea/e-66-o3142-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b4e4/3011783/42d4e27552ea/e-66-o3142-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b4e4/3011783/42d4e27552ea/e-66-o3142-fig1.jpg

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本文引用的文献

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