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2-氯-N-[4-氯-2-(2-氯苯甲酰基)苯基]乙酰胺

2-Chloro-N-[4-chloro-2-(2-chloro-benzo-yl)phen-yl]acetamide.

作者信息

Dutkiewicz Grzegorz, Siddaraju B P, Yathirajan H S, Narayana B, Kubicki Maciej

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 30;66(Pt 2):o499. doi: 10.1107/S1600536810003375.

DOI:10.1107/S1600536810003375
PMID:21579901
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979893/
Abstract

In the title compound, C(15)H(10)Cl(3)NO(2), an intra-molecular N-H⋯O hydrogen bond forms a six-membered ring and enforces an almost coplanar conformation for the acetamido group, the central benzene ring and the bridging carbonyl C-C(=O)-C group: the dihedral angles between the benzene ring and the acetamide and carbonyl C-C(=O)-C planes are 7.06 (11) and 7.17 (12)°, respectively. The dihedral angle between the two benzene rings is 67.43 (9)°. Because a strong hydrogen-bond donor is involved in the intra-molecular inter-action, the crystal packing is determined by weak C-H⋯O and C-H⋯Cl inter-actions.

摘要

在标题化合物C(15)H(10)Cl(3)NO(2)中,分子内的N-H⋯O氢键形成一个六元环,并使乙酰氨基、中心苯环和桥连羰基C-C(=O)-C基团呈现几乎共面的构象:苯环与乙酰胺和羰基C-C(=O)-C平面之间的二面角分别为7.06 (11)°和7.17 (12)°。两个苯环之间的二面角为67.43 (9)°。由于分子内相互作用涉及一个强氢键供体,晶体堆积由弱的C-H⋯O和C-H⋯Cl相互作用决定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8e41/2979893/d14e3084b5ba/e-66-0o499-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8e41/2979893/a1b41cc0bc6f/e-66-0o499-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8e41/2979893/d14e3084b5ba/e-66-0o499-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8e41/2979893/a1b41cc0bc6f/e-66-0o499-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8e41/2979893/d14e3084b5ba/e-66-0o499-fig2.jpg

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