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3,5-Dinitro-benzoyl chloride.

ABSTRACT: The carbonyl chloride group in the title compound, C(7)H(3)ClN(2)O(5), is disordered over two orientations with occupancies of 0.505?(5) and 0.495?(5). The mol-ecule is approximately planar, the dihedral angle between the carbonyl chloride plane and benzene ring being 9.6?(4)° in the major disorder component and 7.1?(4)° in the minor component. The nitro group at the 5-position is twisted, forming a dihedral angle of 6.7?(4)°. The crystal packing is stabilized by C-H?O hydrogen bonds.

SUBMITTER: Wang HY

PROVIDER: S-EPMC2970283 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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3,5-Dinitro-benzoyl chloride.

Wang Hong-Yong HY Xie Min-Hao MH Luo Shi-Neng SN Zou Pei P Liu Ya-Ling YL

Acta crystallographica. Section E, Structure reports online 20090912 Pt 10

The carbonyl chloride group in the title compound, C(7)H(3)ClN(2)O(5), is disordered over two orientations with occupancies of 0.505 (5) and 0.495 (5). The mol-ecule is approximately planar, the dihedral angle between the carbonyl chloride plane and benzene ring being 9.6 (4)° in the major disorder component and 7.1 (4)° in the minor component. The nitro group at the 5-position is twisted, forming a dihedral angle of 6.7 (4)°. The crystal packing is stabilized by C-H⋯O hydrogen bonds. ...[more]

PMID: 21577915

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