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1-[2-(4-氯苯基)-5-苯基-2,3-二氢-1,3,4-恶二唑-3-基]乙酮

1-[2-(4-Chloro-phen-yl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone.

作者信息

Fun Hoong-Kun, Arshad Suhana, Shyma P C, Kalluraya Balakrishna, Arulmoli T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1901. doi: 10.1107/S1600536812023100. Epub 2012 May 26.

Abstract

In the title compound, C(16)H(14)ClN(3)O(2), the 2,3-dihydro-1,3,4-oxadiazole ring [maximum deviation = 0.030 (1) Å] and the pyridine ring [maximum deviation = 0.012 (1) Å] are inclined slightly to one another, making a dihedral angle of 11.91 (5)°. The chloro-substituted phenyl ring is almost perpendicular to the 2,3-dihydro-1,3,4-oxadiazole and pyridine rings at dihedral angles of 86.86 (5) and 75.26 (5)°, respectively. In the crystal, π-π [centroid-centroid distance = 3.7311 (6) Å] and C-H⋯π inter-actions are observed.

摘要

在标题化合物C(16)H(14)ClN(3)O(2)中,2,3 - 二氢 - 1,3,4 - 恶二唑环[最大偏差 = 0.030 (1) Å]与吡啶环[最大偏差 = 0.012 (1) Å]彼此略微倾斜,二面角为11.91 (5)°。氯取代的苯环分别与2,3 - 二氢 - 1,3,4 - 恶二唑环和吡啶环几乎垂直,二面角分别为86.86 (5)°和75.26 (5)°。在晶体中,观察到π - π[质心 - 质心距离 = 3.7311 (6) Å]和C - H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c28/3379458/58ff011f153a/e-68-o1901-fig1.jpg

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