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3-(4-Chloro-phen-yl)-2,1-benzisoxazole-5-carbonyl chloride.

作者信息

Teslenko Yuriy, Matiychuk Vasyl, Obushak Mykola, Kinzhybalo Vasyl, Slepokura Katarzyna

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 22;64(Pt 12):o2420. doi: 10.1107/S1600536808037872.

Abstract

The molecule of the title compound, C(14)H(7)Cl(2)NO(2), is not planar; the dihedral angle between the mean planes of the chloro-phenyl and benzisoxazole rings is 20.32 (7)°. The carbonyl chloride group is twisted with respect to the benzisoxazole ring by 2.5 (1)°. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯Cl hydrogen bond. In the crystal packing, adjacent mol-ecules are linked into dimers by inter-molecular C-H⋯O hydrogen bonds. The dimers are further stacked into columns along the unique axis direction by π-π stacking inter-actions, with a centroid⋯centroid distance of 3.828 (5) Å. Other weak inter-molecular C-H⋯O and C-H⋯Cl inter-actions are also present.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d644/2959907/a188d665ae46/e-64-o2420-fig1.jpg

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