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1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea
In the title molecule, C(18)H(20)F(2)N(2)O(2)S, the 2,6-difluoro-4-hydroxyphenyl ring and the carbonylthiourea group are each essentially planar, with maximum deviations of atoms from their mean planes of 0.0113 (14) and 0.1017 (15) Å, respectively; the dihedral angle between these two planes i...
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/PMC3379207/ https://www.ncbi.nlm.nih.gov/pubmed/22719405 http://dx.doi.org/10.1107/S1600536812018806 |
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author | Mohamed, Shaaban K. Jaber, Abdel-Aal M. Saeed, Sohail Ahmad, Khuram Shahzad Wong, Wing-Tak |
author_facet | Mohamed, Shaaban K. Jaber, Abdel-Aal M. Saeed, Sohail Ahmad, Khuram Shahzad Wong, Wing-Tak |
author_sort | Mohamed, Shaaban K. |
collection | PubMed |
description | In the title molecule, C(18)H(20)F(2)N(2)O(2)S, the 2,6-difluoro-4-hydroxyphenyl ring and the carbonylthiourea group are each essentially planar, with maximum deviations of atoms from their mean planes of 0.0113 (14) and 0.1017 (15) Å, respectively; the dihedral angle between these two planes is 71.03 (6)°. An intramolecular N—H⋯O hydrogen bond occurs. In the crystal, N—H⋯O and O—H⋯S hydrogen bonds connect the molecules into chains running diagonally across the bc plane. C—H⋯S and C—H⋯F contacts are also observed. |
format | Online Article Text |
id | pubmed-3379207 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33792072012-06-20 1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea Mohamed, Shaaban K. Jaber, Abdel-Aal M. Saeed, Sohail Ahmad, Khuram Shahzad Wong, Wing-Tak Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(18)H(20)F(2)N(2)O(2)S, the 2,6-difluoro-4-hydroxyphenyl ring and the carbonylthiourea group are each essentially planar, with maximum deviations of atoms from their mean planes of 0.0113 (14) and 0.1017 (15) Å, respectively; the dihedral angle between these two planes is 71.03 (6)°. An intramolecular N—H⋯O hydrogen bond occurs. In the crystal, N—H⋯O and O—H⋯S hydrogen bonds connect the molecules into chains running diagonally across the bc plane. C—H⋯S and C—H⋯F contacts are also observed. International Union of Crystallography 2012-05-02 /pmc/articles/PMC3379207/ /pubmed/22719405 http://dx.doi.org/10.1107/S1600536812018806 Text en © Mohamed 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 Mohamed, Shaaban K. Jaber, Abdel-Aal M. Saeed, Sohail Ahmad, Khuram Shahzad Wong, Wing-Tak 1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea |
title | 1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea |
title_full | 1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea |
title_fullStr | 1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea |
title_full_unstemmed | 1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea |
title_short | 1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea |
title_sort | 1-(adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379207/ https://www.ncbi.nlm.nih.gov/pubmed/22719405 http://dx.doi.org/10.1107/S1600536812018806 |
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