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Crystal structure of flufenoxuron: a benzoyl-urea pesticide.

ABSTRACT: The title compound, C21H11ClF6N2O3 (systematic name: 1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}-3-(2,6-di-fluoro-benzo-yl)urea), is a benzoyl-urea pesticide. The dihedral angles between the central fluoro-benzene ring and the terminal di-fluoro-phenyl ring and chloro-phenyl ring system are 62.15?(5) and 88.03?(5)°, respectively. In the crystal, N-H?O hydrogen bonds link adjacent mol-ecules, forming R 2 (2)(8) inversion dimers that pack into loop chains along the a-axis direction by short F?F contacts [2.729?(2)?Å]. In addition, the chains are linked by weak C-H?? and ?-? inter-actions [inter-centroid distances = 3.661?(2) and 3.535?(12)?Å], resulting in a three-dimensional architecture.

SUBMITTER: Jeon Y

PROVIDER: S-EPMC4257195 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of flufenoxuron: a benzoyl-urea pesticide.

Jeon Youngeun Y Kang Gihaeng G Lee Sangjin S Kim Tae Ho TH

Acta crystallographica. Section E, Structure reports online 20140917 Pt 10

The title compound, C21H11ClF6N2O3 (systematic name: 1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}-3-(2,6-di-fluoro-benzo-yl)urea), is a benzoyl-urea pesticide. The dihedral angles between the central fluoro-benzene ring and the terminal di-fluoro-phenyl ring and chloro-phenyl ring system are 62.15 (5) and 88.03 (5)°, respectively. In the crystal, N-H⋯O hydrogen bonds link adjacent mol-ecules, forming R 2 (2)(8) inversion dimers that pack into loop chains along the a-axis direction ...[more]

PMID: 25484700

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