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Diafenthiuron: 1-tert-butyl-3-(2,6-diisopropyl-4-phen-oxy-phen-yl)thio-urea.

ABSTRACT: The title compound, C23H32N2OS, is a thio-urea-based insecticide. The dihedral angle between the phenyl ring and the diisopropyl benzene ring plane is 73.18?(6)°, while that between the plane of the thio-urea group and the diisopropyl benzene ring is 86.00?(5)°. Disorder was modelled for the S atom and the two methyl C atoms of the isopropyl group over two sets of sites with an occupancy ratio of 0.742?(4):0.258?(4). In the crystal, N-H?S hydrogen bonds link adjacent mol-ecules, forming R 2 (2)(8) inversion dimers that pack into chains along the b-axis direction.

SUBMITTER: Jeon Y 

PROVIDER: S-EPMC4120544 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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Diafenthiuron: 1-tert-butyl-3-(2,6-diisopropyl-4-phen-oxy-phen-yl)thio-urea.

Jeon Youngeun Y   Kang Gihaeng G   Cho Seonghwa S   Kim Tae Ho TH  

Acta crystallographica. Section E, Structure reports online 20140625 Pt 7

The title compound, C23H32N2OS, is a thio-urea-based insecticide. The dihedral angle between the phenyl ring and the diisopropyl benzene ring plane is 73.18 (6)°, while that between the plane of the thio-urea group and the diisopropyl benzene ring is 86.00 (5)°. Disorder was modelled for the S atom and the two methyl C atoms of the isopropyl group over two sets of sites with an occupancy ratio of 0.742 (4):0.258 (4). In the crystal, N-H⋯S hydrogen bonds link adjacent mol-ecules, forming R 2 (2)(  ...[more]

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