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1-(2,6-Difluoro-benzo-yl)-3-(2,3,5-tri-chloro-phen-yl)urea.

ABSTRACT: The asymmetric unit of the title compound, C(14)H(7)Cl(3)F(2)N(2)O(2), contains two unique molecules. The 2,3,5-trichloro-phenyl ring is almost coplanar with the urea group in both molecules, whereas the 2,6-difluoro-phenyl ring is twisted from the urea plane by 54.83?(10)° in one molecule and 60.58?(10)° in the other. An intra-molecular N-H-O hydrogen bond stabilizes the mol-ecular conformation. The crystal packing is formed by inter-molecular N-H-O hydrogen bonds and F?F inter-actions [2.841?(2)?Å].

SUBMITTER: Yan SJ

PROVIDER: S-EPMC2959602 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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1-(2,6-Difluoro-benzo-yl)-3-(2,3,5-tri-chloro-phen-yl)urea.

Yan Sheng-Jiao SJ Huang Chao C Li Yan-Mei YM Yan Yu-Yun YY Lin Jun J

Acta crystallographica. Section E, Structure reports online 20081011 Pt 11

The asymmetric unit of the title compound, C(14)H(7)Cl(3)F(2)N(2)O(2), contains two unique molecules. The 2,3,5-trichloro-phenyl ring is almost coplanar with the urea group in both molecules, whereas the 2,6-difluoro-phenyl ring is twisted from the urea plane by 54.83 (10)° in one molecule and 60.58 (10)° in the other. An intra-molecular N-H-O hydrogen bond stabilizes the mol-ecular conformation. The crystal packing is formed by inter-molecular N-H-O hydrogen bonds and F⋯F inter-actions [2.841 ( ...[more]

PMID: 21580966

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