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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...
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/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. |
format | Online Article Text |
id | pubmed-3589022 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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