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3-Benzoyl-1-(2-methoxyphenyl)thiourea
In the title compound, C(15)H(14)N(2)O(2)S, the central C(2)N(2)OS moiety is planar (r.m.s. deviation of fitted atoms = 0.0336 Å). This is ascribed to the formation of an S(6) loop stabilized by an intramolecular N—H⋯O hydrogen bond; additional intramolecular N—H⋯O and C—H⋯S contacts are also noted...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588812/ https://www.ncbi.nlm.nih.gov/pubmed/23468777 http://dx.doi.org/10.1107/S160053681204456X |
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author | Selvakumaran, N. Sheeba, M. Mary Karvembu, R. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Selvakumaran, N. Sheeba, M. Mary Karvembu, R. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Selvakumaran, N. |
collection | PubMed |
description | In the title compound, C(15)H(14)N(2)O(2)S, the central C(2)N(2)OS moiety is planar (r.m.s. deviation of fitted atoms = 0.0336 Å). This is ascribed to the formation of an S(6) loop stabilized by an intramolecular N—H⋯O hydrogen bond; additional intramolecular N—H⋯O and C—H⋯S contacts are also noted. The dihedral angles between the central unit and the phenyl and benzene rings are 23.79 (7) and 29.52 (5)°, respectively. The thione S and ketone O atoms are mutually anti, as are the N—H H atoms; the O atoms lie to the same side of the molecule. Centrosymmetric eight-membered {⋯HNC=S}(2) synthons feature in the crystal packing. The resulting inversion dimers stack along the a axis and are connected into a three-dimensional structure by C—H⋯O and C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-3588812 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35888122013-03-06 3-Benzoyl-1-(2-methoxyphenyl)thiourea Selvakumaran, N. Sheeba, M. Mary Karvembu, R. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(14)N(2)O(2)S, the central C(2)N(2)OS moiety is planar (r.m.s. deviation of fitted atoms = 0.0336 Å). This is ascribed to the formation of an S(6) loop stabilized by an intramolecular N—H⋯O hydrogen bond; additional intramolecular N—H⋯O and C—H⋯S contacts are also noted. The dihedral angles between the central unit and the phenyl and benzene rings are 23.79 (7) and 29.52 (5)°, respectively. The thione S and ketone O atoms are mutually anti, as are the N—H H atoms; the O atoms lie to the same side of the molecule. Centrosymmetric eight-membered {⋯HNC=S}(2) synthons feature in the crystal packing. The resulting inversion dimers stack along the a axis and are connected into a three-dimensional structure by C—H⋯O and C—H⋯π interactions. International Union of Crystallography 2012-11-03 /pmc/articles/PMC3588812/ /pubmed/23468777 http://dx.doi.org/10.1107/S160053681204456X Text en © Selvakumaran et al. 2012 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 Selvakumaran, N. Sheeba, M. Mary Karvembu, R. Ng, Seik Weng Tiekink, Edward R. T. 3-Benzoyl-1-(2-methoxyphenyl)thiourea |
title | 3-Benzoyl-1-(2-methoxyphenyl)thiourea |
title_full | 3-Benzoyl-1-(2-methoxyphenyl)thiourea |
title_fullStr | 3-Benzoyl-1-(2-methoxyphenyl)thiourea |
title_full_unstemmed | 3-Benzoyl-1-(2-methoxyphenyl)thiourea |
title_short | 3-Benzoyl-1-(2-methoxyphenyl)thiourea |
title_sort | 3-benzoyl-1-(2-methoxyphenyl)thiourea |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588812/ https://www.ncbi.nlm.nih.gov/pubmed/23468777 http://dx.doi.org/10.1107/S160053681204456X |
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