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6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine–benzoic acid (1/1)
The benzoic acid molecule of the title adduct, C(10)H(11)N(5)·C(7)H(6)O(2), is approximately planar, with a dihedral angle of 7.2 (3)° between the carboxylic acid group and the benzene ring. In the triazine molecule, the plane of the triazine ring makes a dihedral angle of 28.85 (9)° with that o...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685106/ https://www.ncbi.nlm.nih.gov/pubmed/23795125 http://dx.doi.org/10.1107/S1600536813013883 |
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author | Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Razak, Ibrahim Abdul Lavanya, Palanisamy Balasubramani, Kasthuri |
author_facet | Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Razak, Ibrahim Abdul Lavanya, Palanisamy Balasubramani, Kasthuri |
author_sort | Thanigaimani, Kaliyaperumal |
collection | PubMed |
description | The benzoic acid molecule of the title adduct, C(10)H(11)N(5)·C(7)H(6)O(2), is approximately planar, with a dihedral angle of 7.2 (3)° between the carboxylic acid group and the benzene ring. In the triazine molecule, the plane of the triazine ring makes a dihedral angle of 28.85 (9)° with that of the adjacent benzene ring. In the crystal, the two components are linked by N—H⋯O and O—H⋯N hydrogen bonds with an R (2) (2)(8) motif, thus generating a 1 + 1 unit of triazine and benzoic acid molecules. The acid–base units are further connected by N—H⋯N hydrogen bonds with R (2) (2)(8) motifs, forming a supramolecular ribbon along [101]. The crystal structure also features weak π–π [centroid–centroid distances = 3.7638 (12) and 3.6008 (12) Å] and C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-3685106 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36851062013-06-21 6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine–benzoic acid (1/1) Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Razak, Ibrahim Abdul Lavanya, Palanisamy Balasubramani, Kasthuri Acta Crystallogr Sect E Struct Rep Online Organic Papers The benzoic acid molecule of the title adduct, C(10)H(11)N(5)·C(7)H(6)O(2), is approximately planar, with a dihedral angle of 7.2 (3)° between the carboxylic acid group and the benzene ring. In the triazine molecule, the plane of the triazine ring makes a dihedral angle of 28.85 (9)° with that of the adjacent benzene ring. In the crystal, the two components are linked by N—H⋯O and O—H⋯N hydrogen bonds with an R (2) (2)(8) motif, thus generating a 1 + 1 unit of triazine and benzoic acid molecules. The acid–base units are further connected by N—H⋯N hydrogen bonds with R (2) (2)(8) motifs, forming a supramolecular ribbon along [101]. The crystal structure also features weak π–π [centroid–centroid distances = 3.7638 (12) and 3.6008 (12) Å] and C—H⋯π interactions. International Union of Crystallography 2013-05-25 /pmc/articles/PMC3685106/ /pubmed/23795125 http://dx.doi.org/10.1107/S1600536813013883 Text en © Thanigaimani et al. 2013 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 Razak, Ibrahim Abdul Lavanya, Palanisamy Balasubramani, Kasthuri 6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine–benzoic acid (1/1) |
title | 6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine–benzoic acid (1/1) |
title_full | 6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine–benzoic acid (1/1) |
title_fullStr | 6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine–benzoic acid (1/1) |
title_full_unstemmed | 6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine–benzoic acid (1/1) |
title_short | 6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine–benzoic acid (1/1) |
title_sort | 6-(4-methylphenyl)-1,3,5-triazine-2,4-diamine–benzoic acid (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685106/ https://www.ncbi.nlm.nih.gov/pubmed/23795125 http://dx.doi.org/10.1107/S1600536813013883 |
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