Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Thanigaimani, Kaliyaperumal, Farhadikoutenaei, Abbas, Arshad, Suhana, Razak, Ibrahim Abdul, Balasubramani, Kasthuri
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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
_version_ 1782261674941612032
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
work_keys_str_mv AT thanigaimanikaliyaperumal 46dimethoxy2methylsulfanylpyrimidine4hydroxybenzoicacid11
AT farhadikoutenaeiabbas 46dimethoxy2methylsulfanylpyrimidine4hydroxybenzoicacid11
AT arshadsuhana 46dimethoxy2methylsulfanylpyrimidine4hydroxybenzoicacid11
AT razakibrahimabdul 46dimethoxy2methylsulfanylpyrimidine4hydroxybenzoicacid11
AT balasubramanikasthuri 46dimethoxy2methylsulfanylpyrimidine4hydroxybenzoicacid11