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4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1)
The base molecule of the title co-crystal, C(7)H(10)N(2)O(2)S·C(7)H(6)O(3), is essentially planar, with a maximum deviation of 0.0806 (14) Å for all non-H atoms. The acid molecule is also nearly planar, with a dihedral angle of 8.12 (14)° between the benzene ring and the carboxy group. In the cry...
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/PMC3589001/ https://www.ncbi.nlm.nih.gov/pubmed/23476237 http://dx.doi.org/10.1107/S1600536812046338 |
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author | Thanigaimani, Kaliyaperumal Farhadikoutenaei, Abbas Arshad, Suhana Razak, Ibrahim Abdul Balasubramani, Kasthuri |
author_facet | Thanigaimani, Kaliyaperumal Farhadikoutenaei, Abbas Arshad, Suhana Razak, Ibrahim Abdul Balasubramani, Kasthuri |
author_sort | Thanigaimani, Kaliyaperumal |
collection | PubMed |
description | The base molecule of the title co-crystal, C(7)H(10)N(2)O(2)S·C(7)H(6)O(3), is essentially planar, with a maximum deviation of 0.0806 (14) Å for all non-H atoms. The acid molecule is also nearly planar, with a dihedral angle of 8.12 (14)° between the benzene ring and the carboxy group. In the crystal, the acid molecules form an inversion dimer through a pair of O—H⋯O hydrogen bonds with an R (2) (2)(8) ring motif. The pyrimidine molecules are linked on both sides of the dimer into a heterotetramer via O—H⋯N and C—H⋯O hydrogen bonds with R (2) (2)(8) ring motifs. The heterotetramers are further linked by weak C—H⋯O hydrogen bonds, forming a tape structure along [1-10]. |
format | Online Article Text |
id | pubmed-3589001 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35890012013-03-08 4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1) Thanigaimani, Kaliyaperumal Farhadikoutenaei, Abbas Arshad, Suhana Razak, Ibrahim Abdul Balasubramani, Kasthuri Acta Crystallogr Sect E Struct Rep Online Organic Papers The base molecule of the title co-crystal, C(7)H(10)N(2)O(2)S·C(7)H(6)O(3), is essentially planar, with a maximum deviation of 0.0806 (14) Å for all non-H atoms. The acid molecule is also nearly planar, with a dihedral angle of 8.12 (14)° between the benzene ring and the carboxy group. In the crystal, the acid molecules form an inversion dimer through a pair of O—H⋯O hydrogen bonds with an R (2) (2)(8) ring motif. The pyrimidine molecules are linked on both sides of the dimer into a heterotetramer via O—H⋯N and C—H⋯O hydrogen bonds with R (2) (2)(8) ring motifs. The heterotetramers are further linked by weak C—H⋯O hydrogen bonds, forming a tape structure along [1-10]. International Union of Crystallography 2012-11-24 /pmc/articles/PMC3589001/ /pubmed/23476237 http://dx.doi.org/10.1107/S1600536812046338 Text en © Thanigaimani 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 Thanigaimani, Kaliyaperumal Farhadikoutenaei, Abbas Arshad, Suhana Razak, Ibrahim Abdul Balasubramani, Kasthuri 4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1) |
title | 4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1) |
title_full | 4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1) |
title_fullStr | 4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1) |
title_full_unstemmed | 4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1) |
title_short | 4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1) |
title_sort | 4,6-dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589001/ https://www.ncbi.nlm.nih.gov/pubmed/23476237 http://dx.doi.org/10.1107/S1600536812046338 |
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