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Crystal structure of tolyl­fluanid

The title compound, C(10)H(13)Cl(2)FN(2)O(2)S(2) {systematic name: N-[(di­chloro­fluoro­methyl)­sulfanyl]-N′,N′-dimethyl-N-p-tolyl­sulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the di­methyl­amino group and that of the benzene ring is 32.3 (3)°. One Cl atom and...

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Detalles Bibliográficos
Autores principales: Cho, Seonghwa, Kim, Jineun, Kang, Gihaeng, Kim, Tae Ho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257202/
https://www.ncbi.nlm.nih.gov/pubmed/25484703
http://dx.doi.org/10.1107/S1600536814020741
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author Cho, Seonghwa
Kim, Jineun
Kang, Gihaeng
Kim, Tae Ho
author_facet Cho, Seonghwa
Kim, Jineun
Kang, Gihaeng
Kim, Tae Ho
author_sort Cho, Seonghwa
collection PubMed
description The title compound, C(10)H(13)Cl(2)FN(2)O(2)S(2) {systematic name: N-[(di­chloro­fluoro­methyl)­sulfanyl]-N′,N′-dimethyl-N-p-tolyl­sulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the di­methyl­amino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the di­chloro­fluoro­methyl­thio 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 mol­ecules, 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.
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spelling pubmed-42572022014-12-05 Crystal structure of tolyl­fluanid Cho, Seonghwa Kim, Jineun Kang, Gihaeng Kim, Tae Ho Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(10)H(13)Cl(2)FN(2)O(2)S(2) {systematic name: N-[(di­chloro­fluoro­methyl)­sulfanyl]-N′,N′-dimethyl-N-p-tolyl­sulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the di­methyl­amino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the di­chloro­fluoro­methyl­thio 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 mol­ecules, 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. International Union of Crystallography 2014-09-20 /pmc/articles/PMC4257202/ /pubmed/25484703 http://dx.doi.org/10.1107/S1600536814020741 Text en © Cho et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Cho, Seonghwa
Kim, Jineun
Kang, Gihaeng
Kim, Tae Ho
Crystal structure of tolyl­fluanid
title Crystal structure of tolyl­fluanid
title_full Crystal structure of tolyl­fluanid
title_fullStr Crystal structure of tolyl­fluanid
title_full_unstemmed Crystal structure of tolyl­fluanid
title_short Crystal structure of tolyl­fluanid
title_sort crystal structure of tolyl­fluanid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257202/
https://www.ncbi.nlm.nih.gov/pubmed/25484703
http://dx.doi.org/10.1107/S1600536814020741
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