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The molecule of the title compound, C14H7Cl2NO2, is not planar; the dihedral angle between the mean planes of the chlorophenyl and benzisoxazole rings is 20.32 (7)degrees. The carbonyl chloride group is twisted with respect to the benzisoxazole ring by 2.5 (1)degrees. The molecular conformation is stabilized by an intramolecular C-H center dot center dot center dot Cl hydrogen bond. In the crystal packing, adjacent molecules are linked into dimers by intermolecular C-H center dot center dot center dot O hydrogen bonds. The dimers are further stacked into columns along the unique axis direction by pi-pi stacking interactions, with a centroid center dot center dot center dot centroid distance of 3.828 (5) angstrom. Other weak intermolecular C-H center dot center dot center dot O and C-H center dot center dot center dot Cl interactions are also present.
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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics