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1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea
The molecule of the title compound, C(14)H(12)ClN(3)OS, consists of three approximately planar fragments: the central thiourea group, the chlorophenyl group and the picolyl (3-methylpyridin-2-yl) group with a maximum of 0.035 (2)° for an N atom from the mean square plane of the central thiourea...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200797/ https://www.ncbi.nlm.nih.gov/pubmed/22058973 http://dx.doi.org/10.1107/S1600536811032375 |
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author | Yusof, M.Sukeri M. Mushtari, Nurwahyuni A. Kadir, Maisara A. Yamin, Bohari M. |
author_facet | Yusof, M.Sukeri M. Mushtari, Nurwahyuni A. Kadir, Maisara A. Yamin, Bohari M. |
author_sort | Yusof, M.Sukeri M. |
collection | PubMed |
description | The molecule of the title compound, C(14)H(12)ClN(3)OS, consists of three approximately planar fragments: the central thiourea group, the chlorophenyl group and the picolyl (3-methylpyridin-2-yl) group with a maximum of 0.035 (2)° for an N atom from the mean square plane of the central thiourea group. The central fragment forms dihedral angles of 33.30 (8) and 76.78 (8)° with the chlorophenyl and picolyl groups, respectively. With respect to the thiourea C—N bonds, the 4-chlorobenzoyl group is positioned trans to the thiono S atoms, whereas the picolyl group lies in a cis position to it. The molecular conformation is stabilized by an intramolecular N—H⋯O hydrogen bond. In the crystal, molecules are linked by intermolecular C—H⋯N hydrogen bonds, forming chains along the a axis. |
format | Online Article Text |
id | pubmed-3200797 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32007972011-11-06 1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea Yusof, M.Sukeri M. Mushtari, Nurwahyuni A. Kadir, Maisara A. Yamin, Bohari M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecule of the title compound, C(14)H(12)ClN(3)OS, consists of three approximately planar fragments: the central thiourea group, the chlorophenyl group and the picolyl (3-methylpyridin-2-yl) group with a maximum of 0.035 (2)° for an N atom from the mean square plane of the central thiourea group. The central fragment forms dihedral angles of 33.30 (8) and 76.78 (8)° with the chlorophenyl and picolyl groups, respectively. With respect to the thiourea C—N bonds, the 4-chlorobenzoyl group is positioned trans to the thiono S atoms, whereas the picolyl group lies in a cis position to it. The molecular conformation is stabilized by an intramolecular N—H⋯O hydrogen bond. In the crystal, molecules are linked by intermolecular C—H⋯N hydrogen bonds, forming chains along the a axis. International Union of Crystallography 2011-08-17 /pmc/articles/PMC3200797/ /pubmed/22058973 http://dx.doi.org/10.1107/S1600536811032375 Text en © Yusof et al. 2011 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 | Organic Papers Yusof, M.Sukeri M. Mushtari, Nurwahyuni A. Kadir, Maisara A. Yamin, Bohari M. 1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea |
title | 1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea |
title_full | 1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea |
title_fullStr | 1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea |
title_full_unstemmed | 1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea |
title_short | 1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea |
title_sort | 1-(4-chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200797/ https://www.ncbi.nlm.nih.gov/pubmed/22058973 http://dx.doi.org/10.1107/S1600536811032375 |
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