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2,6-Diamino-4-chloro­pyrimidine–benzoic acid (1/1)

The benzoic acid mol­ecule of the title compound, C(4)H(5)ClN(4)·C(7)H(6)O(2), is approximately planar, with a dihedral angle of 1.28 (9)° between the carb­oxy group and the benzene ring. In the crystal, two acid and two base mol­ecules are linked through N—H⋯O and O—H⋯N hydrogen bonds, forming a ce...

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Autores principales: Thanigaimani, Kaliyaperumal, Khalib, Nuridayanti Che, Arshad, Suhana, Razak, Ibrahim Abdul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589022/
https://www.ncbi.nlm.nih.gov/pubmed/23476258
http://dx.doi.org/10.1107/S160053681204768X
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author Thanigaimani, Kaliyaperumal
Khalib, Nuridayanti Che
Arshad, Suhana
Razak, Ibrahim Abdul
author_facet Thanigaimani, Kaliyaperumal
Khalib, Nuridayanti Che
Arshad, Suhana
Razak, Ibrahim Abdul
author_sort Thanigaimani, Kaliyaperumal
collection PubMed
description The benzoic acid mol­ecule of the title compound, C(4)H(5)ClN(4)·C(7)H(6)O(2), is approximately planar, with a dihedral angle of 1.28 (9)° between the carb­oxy group and the benzene ring. In the crystal, two acid and two base mol­ecules are linked through N—H⋯O and O—H⋯N hydrogen bonds, forming a centrosymmetric 2 + 2 unit with R (2) (2)(8) and R (4) (2)(8) motifs. These units are further linked through a pair of N—H⋯N hydrogen bonds into a tape structure along [1-20]. The crystal structure also features weak π–π [centroid–centroid distance = 3.5984 (11) Å] and C—H⋯π inter­actions.
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spelling pubmed-35890222013-03-08 2,6-Diamino-4-chloro­pyrimidine–benzoic acid (1/1) Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul Acta Crystallogr Sect E Struct Rep Online Organic Papers The benzoic acid mol­ecule of the title compound, C(4)H(5)ClN(4)·C(7)H(6)O(2), is approximately planar, with a dihedral angle of 1.28 (9)° between the carb­oxy group and the benzene ring. In the crystal, two acid and two base mol­ecules are linked through N—H⋯O and O—H⋯N hydrogen bonds, forming a centrosymmetric 2 + 2 unit with R (2) (2)(8) and R (4) (2)(8) motifs. These units are further linked through a pair of N—H⋯N hydrogen bonds into a tape structure along [1-20]. The crystal structure also features weak π–π [centroid–centroid distance = 3.5984 (11) Å] and C—H⋯π inter­actions. International Union of Crystallography 2012-11-24 /pmc/articles/PMC3589022/ /pubmed/23476258 http://dx.doi.org/10.1107/S160053681204768X 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
Khalib, Nuridayanti Che
Arshad, Suhana
Razak, Ibrahim Abdul
2,6-Diamino-4-chloro­pyrimidine–benzoic acid (1/1)
title 2,6-Diamino-4-chloro­pyrimidine–benzoic acid (1/1)
title_full 2,6-Diamino-4-chloro­pyrimidine–benzoic acid (1/1)
title_fullStr 2,6-Diamino-4-chloro­pyrimidine–benzoic acid (1/1)
title_full_unstemmed 2,6-Diamino-4-chloro­pyrimidine–benzoic acid (1/1)
title_short 2,6-Diamino-4-chloro­pyrimidine–benzoic acid (1/1)
title_sort 2,6-diamino-4-chloro­pyrimidine–benzoic acid (1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589022/
https://www.ncbi.nlm.nih.gov/pubmed/23476258
http://dx.doi.org/10.1107/S160053681204768X
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