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6-(4-溴苯基)-2-(4-氟苄基)咪唑并[2,1-b][1,3,4]噻二唑

6-(4-Bromo-phen-yl)-2-(4-fluoro-benz-yl)imidazo[2,1-b][1,3,4]thia-diazole.

作者信息

Banu Afshan, Begum Noor Shahina, Lamani Ravi S, Khazi I M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o779. doi: 10.1107/S1600536811007343. Epub 2011 Mar 5.

Abstract

In the title compound, C(17)H(11)BrFN(3)S, the imidazothia-diazole and bromo-phenyl rings are individually almost planar, with maximum deviations of 0.0215 (4) and 0.0044 (4) Å, respectively, and are inclined at an angle of 27.34 (3)° with respect to each other. The dihedral angle between the mean planes of the fluoro-benzyl and imidazothia-diazole rings is 79.54 (3)°. The crystal structure is stabilized by inter-molecular C-H⋯N inter-actions resulting in chains of mol-ecules along the b axis.

摘要

在标题化合物C₁₇H₁₁BrFN₃S中,咪唑并噻二唑环和溴苯环各自几乎呈平面状,最大偏差分别为0.0215 (4) Å和0.0044 (4) Å,且它们彼此间倾斜角度为27.34 (3)°。氟苄基环和咪唑并噻二唑环的平均平面之间的二面角为79.54 (3)°。晶体结构通过分子间C—H⋯N相互作用得以稳定,从而形成沿b轴的分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f5f/3100000/6f27ddb7de90/e-67-0o779-fig1.jpg

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