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Crystal structure of flufenoxuron: a benzoyl-urea pesticide.

作者信息

Jeon Youngeun, Kang Gihaeng, Lee Sangjin, Kim Tae Ho

机构信息

Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang, National University, Jinju 660-701, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 17;70(Pt 10):o1110. doi: 10.1107/S1600536814020649. eCollection 2014 Oct 1.

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⋯π and π-π inter-actions [inter-centroid distances = 3.661 (2) and 3.535 (12) Å], resulting in a three-dimensional architecture.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cb54/4257195/c043d96ed685/e-70-o1110-fig1.jpg

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