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Crystal structure of tolyl-fluanid.

ABSTRACT: The title compound, C10H13Cl2FN2O2S2 {systematic name: N-[(di-chloro-fluoro-methyl)-sulfanyl]-N',N'-dimethyl-N-p-tolyl-sulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the di-methyl-amino group and that of the benzene ring is 32.3?(3)°. One Cl atom and one F atom of the di-chloro-fluoro-methyl-thio group are disordered over two sets of sites with an occupancy ratio of 0.605?(9):0.395?(9). In the crystal structure, two C-H?Cl hydrogen bonds link adjacent mol-ecules, forming dimers with R 2 (2)(14) loops. C-H?O hydrogen bonds link pairs of dimers into chains along the b-axis direction. These chains are joined by an additional C-H?O contact, generating a sheet in the ab plane.

SUBMITTER: Cho S

PROVIDER: S-EPMC4257202 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of tolyl-fluanid.

Cho Seonghwa S Kim Jineun J Kang Gihaeng G Kim Tae Ho TH

Acta crystallographica. Section E, Structure reports online 20140920 Pt 10

The title compound, C10H13Cl2FN2O2S2 {systematic name: N-[(di-chloro-fluoro-methyl)-sulfanyl]-N',N'-dimethyl-N-p-tolyl-sulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the di-methyl-amino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the di-chloro-fluoro-methyl-thio group are disordered over two sets of sites with an occupancy ratio of 0.605 (9):0.395 (9). In the crystal structure, two C-H⋯Cl hydrogen bonds link adjacent mol-ecu ...[more]

PMID: 25484703

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