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Bosentan monohydrate
In the title compound, C(27)H(29)N(5)O(6)S·H(2)O {systematic name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide monohydrate], the dihedral angle between the mean planes of the pyrimidine rings is 27.0 (1)°. The dihedral angle b...
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/PMC3588285/ https://www.ncbi.nlm.nih.gov/pubmed/23476382 http://dx.doi.org/10.1107/S1600536812048969 |
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author | Kaur, Manpreet Jasinski, Jerry P. Keeley, Amanda C. Yathirajan, H. S. Betz, Richard Gerber, Thomas Butcher, Ray J. |
author_facet | Kaur, Manpreet Jasinski, Jerry P. Keeley, Amanda C. Yathirajan, H. S. Betz, Richard Gerber, Thomas Butcher, Ray J. |
author_sort | Kaur, Manpreet |
collection | PubMed |
description | In the title compound, C(27)H(29)N(5)O(6)S·H(2)O {systematic name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide monohydrate], the dihedral angle between the mean planes of the pyrimidine rings is 27.0 (1)°. The dihedral angle between the mean planes of the benzene rings is 47.7 (8)°, forming a U-shaped channel around the chain of twisted pyrimidine rings. The crystal packing is stabilized by O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds with a single water molecule, and weak O—H⋯N intermolecular interactions between the hydroxy group and one of the pyrimidine rings producing an two-dimensional supramolecular array in the bc plane. The title compound studied was a merohedral twin with the major component being approximately 57%. |
format | Online Article Text |
id | pubmed-3588285 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35882852013-03-08 Bosentan monohydrate Kaur, Manpreet Jasinski, Jerry P. Keeley, Amanda C. Yathirajan, H. S. Betz, Richard Gerber, Thomas Butcher, Ray J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(27)H(29)N(5)O(6)S·H(2)O {systematic name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide monohydrate], the dihedral angle between the mean planes of the pyrimidine rings is 27.0 (1)°. The dihedral angle between the mean planes of the benzene rings is 47.7 (8)°, forming a U-shaped channel around the chain of twisted pyrimidine rings. The crystal packing is stabilized by O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds with a single water molecule, and weak O—H⋯N intermolecular interactions between the hydroxy group and one of the pyrimidine rings producing an two-dimensional supramolecular array in the bc plane. The title compound studied was a merohedral twin with the major component being approximately 57%. International Union of Crystallography 2012-12-05 /pmc/articles/PMC3588285/ /pubmed/23476382 http://dx.doi.org/10.1107/S1600536812048969 Text en © Kaur et al. 2013 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 Kaur, Manpreet Jasinski, Jerry P. Keeley, Amanda C. Yathirajan, H. S. Betz, Richard Gerber, Thomas Butcher, Ray J. Bosentan monohydrate |
title | Bosentan monohydrate |
title_full | Bosentan monohydrate |
title_fullStr | Bosentan monohydrate |
title_full_unstemmed | Bosentan monohydrate |
title_short | Bosentan monohydrate |
title_sort | bosentan monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588285/ https://www.ncbi.nlm.nih.gov/pubmed/23476382 http://dx.doi.org/10.1107/S1600536812048969 |
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