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(2-(苯并[d]噻唑-2-基甲氧基)-5-氯苯基)(苯基)甲酮

(2-(Benzo[d]thia-zol-2yl-meth-oxy)-5-chloro-phen-yl)(phen-yl)methanone.

作者信息

Venugopala K N, Nayak Susanta K, Govender Thavendran, Kruger Hendrik G, Maguire Glenn E M

机构信息

School of Pharmacy and Pharmacology, University of KwaZulu-Natal, Durban 4000, South Africa.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3125. doi: 10.1107/S1600536812041888. Epub 2012 Oct 13.

DOI:10.1107/S1600536812041888
PMID:23284450
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3515230/
Abstract

In the title compound, C(21)H(14)ClNO(2)S, the dihedral angle between the benzothia-zole and diphenyl methanone groups is 68.6 (2)°. The crystal structure consists of dimeric units generated by C-H⋯N bonds, further linked by C-H⋯O bonds and C-H⋯π and π-π inter-actions [centroid-centroiddistance = 3.856 (2) Å], which lead to a criss-cross assembly parallel to (001).

摘要

在标题化合物C₂₁H₁₄ClNO₂S中,苯并噻唑基团与二苯甲酮基团之间的二面角为68.6(2)°。晶体结构由通过C—H⋯N键形成的二聚体单元组成,这些单元通过C—H⋯O键以及C—H⋯π和π-π相互作用[质心-质心距离 = 3.856(2)Å]进一步连接,从而导致形成平行于(001)的交叉堆积结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1af2/3515230/b9f0135f3940/e-68-o3125-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1af2/3515230/580849f5c965/e-68-o3125-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1af2/3515230/b9f0135f3940/e-68-o3125-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1af2/3515230/580849f5c965/e-68-o3125-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1af2/3515230/b9f0135f3940/e-68-o3125-fig2.jpg

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本文引用的文献

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Bioorg Med Chem Lett. 2012 Jan 1;22(1):649-52. doi: 10.1016/j.bmcl.2011.10.064. Epub 2011 Oct 30.
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Synthesis, characterization and biological evaluation of some thiourea derivatives bearing benzothiazole moiety as potential antimicrobial and anticancer agents.合成、表征及含苯并噻唑基的硫脲衍生物的生物评价作为潜在的抗菌和抗癌药物。
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