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N-（2,6-二氯苯基）-5-甲基-1,2-恶唑-4-甲酰胺一水合物

N-(2,6-Dichloro-phen-yl)-5-methyl-1,2-oxazole-4-carboxamide monohydrate.

作者信息

Wang De-Cai, Huang Liang-Cheng, Liu Hua-Quan, Peng Yu-Ran, Song Jun-Song

机构信息

State Key Laboratory of Materials-Oriented Chemical Engineering, School of Pharmaceutical Sciences, Nanjing University of Technology, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3207. doi: 10.1107/S1600536811044734. Epub 2011 Nov 5.

DOI:10.1107/S1600536811044734
PMID:22199725
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238872/
Abstract

In the title compound, C(11)H(8)Cl(2)N(2)O(2)·H(2)O, the dihedral angle between the benzene and isoxazole rings is 59.10 (7)°. In the crystal, the components are linked by N-H⋯O and O-H⋯O hydrogen bonds into a three-dimensional network. The crystal structure is further stabilized by π-π stacking inter-actions [centroid-centroid distance = 3.804 (2) Å].

摘要

在标题化合物C₁₁H₈Cl₂N₂O₂·H₂O中，苯环与异恶唑环之间的二面角为59.10 (7)°。在晶体中，各组分通过N—H⋯O和O—H⋯O氢键连接成三维网络。晶体结构通过π-π堆积相互作用[质心-质心距离 = 3.804 (2) Å]进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/896e/3238872/f028036fc7be/e-67-o3207-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/896e/3238872/f028036fc7be/e-67-o3207-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/896e/3238872/f028036fc7be/e-67-o3207-fig1.jpg

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