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1-[2-(2,5-二氯-苄氧基)-2-苯基-乙基]-1H-苯并三唑

1-[2-(2,5-Dichloro-benz-yloxy)-2-phenyl-eth-yl]-1H-benzotriazole.

作者信息

Ozel Güven Ozden, Bayraktar Meral, Coles Simon J, Hökelek Tuncer

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3177-8. doi: 10.1107/S1600536811044783. Epub 2011 Nov 5.

DOI:10.1107/S1600536811044783
PMID:22199701
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238848/
Abstract

In the title mol-ecule, C(21)H(17)Cl(2)N(3)O, the benzotriazole ring is oriented at dihedral angles of 48.72 (6) and 62.94 (5)°, respectively, to the phenyl and benzene rings and the dihedral angle between the phenyl and benzene rings is 88.95 (6)°. In the crystal, weak C-H⋯N hydrogen bonds link the mol-ecules into chains. π-π contacts between the triazole and benzene rings [centroid-centroid distance = 3.678 (1) Å] and a weak C-H⋯π inter-action are also observed.

摘要

在标题分子C(21)H(17)Cl(2)N(3)O中，苯并三唑环与苯环和苯基环的二面角分别为48.72 (6)°和62.94 (5)°，苯基环和苯环之间的二面角为88.95 (6)°。在晶体中，弱的C-H⋯N氢键将分子连接成链。还观察到三唑环与苯环之间的π-π接触[质心-质心距离 = 3.678 (1) Å]以及弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a6e/3238848/9982bf5be854/e-67-o3177-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a6e/3238848/3f7ec750685f/e-67-o3177-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a6e/3238848/9982bf5be854/e-67-o3177-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a6e/3238848/3f7ec750685f/e-67-o3177-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a6e/3238848/9982bf5be854/e-67-o3177-fig2.jpg

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