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2-（2,4-二氟苯基）-4,5-二甲基-1-（4-甲基苯基）-1H-咪唑一水合物

2-(2,4-Di-fluoro-phen-yl)-4,5-dimethyl-1-(4-methyl-phen-yl)-1H-imidazole monohydrate.

作者信息

Srinivasan Natesan, Rizwana Begum Syed Rafee Ahamed, Hema Ramu, Sridhar Balasubramanian, Anitha Azhagan Ganapathi

机构信息

Department of Chemistry, S.K.P. Engineering College, Thiruvanamalai 606 611, India.

Department of Physics, Seethalakshmi Ramaswami College (Autonomous), Tiruchirappalli 620 002, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Oct 2;69(Pt 11):o1599-600. doi: 10.1107/S1600536813026354.

DOI:10.1107/S1600536813026354
PMID:24454053
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3884277/
Abstract

The asymmetric unit of the title compound, C18H16F2N2·H2O, contains two independent mol-ecules (A and B), and two independent water mol-ecules of crystallization. In mol-ecule A, the imidazole ring makes dihedral angles of 47.46 (7) and 60.98 (6)° with the 2,4-di-fluoro-phenyl and methyl-phenyl rings, respectively. The corresponding angles in mol-ecule B are 45.85 (7) and 62.78 (7)°, respectively. The dihedral angle between the two benzene rings is 64.98 (7)° in mol-ecule A and 65.53 (7)° in mol-ecule B. In the crystal, the two independent mol-ecules are linked by O-H⋯N and O-H⋯O hydrogen bonds, forming chains propagating along [100]. These chains are linked via C-H⋯F hydrogen bonds, forming slab-like two-dimensional networks lying parallel to (001).

摘要

标题化合物C18H16F2N2·H2O的不对称单元包含两个独立分子（A和B）以及两个独立的结晶水分子。在分子A中，咪唑环与2,4-二氟苯环和甲基苯环的二面角分别为47.46 (7)°和60.98 (6)°。分子B中的相应角度分别为45.85 (7)°和62.78 (7)°。分子A中两个苯环之间的二面角为64.98 (7)°，分子B中为65.53 (7)°。在晶体中，两个独立分子通过O-H⋯N和O-H⋯O氢键相连，形成沿[100]方向延伸的链。这些链通过C-H⋯F氢键相连，形成平行于(001)的板状二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a228/3884277/a3d1032379be/e-69-o1599-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a228/3884277/7fe227c3fb16/e-69-o1599-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a228/3884277/a3d1032379be/e-69-o1599-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a228/3884277/7fe227c3fb16/e-69-o1599-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a228/3884277/a3d1032379be/e-69-o1599-fig2.jpg

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