MersV1, Main, Exploration, bibRecord, 002288

4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1)

Identifieur interne : 002288 ( Main/Exploration ); précédent : 002287; suivant : 002289

4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1)

Auteurs : Kaliyaperumal Thanigaimani [Malaisie] ; Abbas Farhadikoutenaei [Malaisie, Iran] ; Suhana Arshad [Malaisie] ; Ibrahim Abdul Razak [Malaisie] ; Kasthuri Balasubramani [Inde]

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2012.

RBID : PMC:3589001

Abstract

The base molecule of the title co-crystal, C₇H₁₀N₂O₂S·C₇H₆O₃, 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 R₂²(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 R₂²(8) ring motifs. The heterotetramers are further linked by weak C—H⋯O hydrogen bonds, forming a tape structure along [1-10].

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589001

DOI: 10.1107/S1600536812046338
PubMed: 23476237
PubMed Central: 3589001

Affiliations:

Inde, Iran, Malaisie

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4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1)

4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1)

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4,6-Dimeth­oxy-2-(methyl­sulfan­yl)pyrimidine–4-hy­droxy­benzoic acid (1/1)

4,6-Dimeth­oxy-2-(methyl­sulfan­yl)pyrimidine–4-hy­droxy­benzoic acid (1/1)

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Abstract

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4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1)

4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine–4-hydroxybenzoic acid (1/1)