Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1782347699620675584 |
---|---|
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. |
format | Online Article Text |
id | pubmed-4257202 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT choseonghwa crystalstructureoftolylfluanid AT kimjineun crystalstructureoftolylfluanid AT kanggihaeng crystalstructureoftolylfluanid AT kimtaeho crystalstructureoftolylfluanid |