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4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide–4-nitrobenzoic acid (1/1)
In the asymmetric unit of the title co-crystal, C(7)H(5)NO(4)·C(12)H(14)N(4)O(2)S, there are two independent but conformationally similar heterodimers, which are formed through intermolecular N—H⋯O(carboxy) and carboxyl–pyrimidine O—H⋯N hydrogen-bond pairs, giving a cyclic motif [graph set R (2)...
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/PMC3379250/ https://www.ncbi.nlm.nih.gov/pubmed/22719448 http://dx.doi.org/10.1107/S1600536812019563 |
Sumario: | In the asymmetric unit of the title co-crystal, C(7)H(5)NO(4)·C(12)H(14)N(4)O(2)S, there are two independent but conformationally similar heterodimers, which are formed through intermolecular N—H⋯O(carboxy) and carboxyl–pyrimidine O—H⋯N hydrogen-bond pairs, giving a cyclic motif [graph set R (2) (2)(8)]. The dihedral angles between the rings in the sulfonamide molecules are 78.77 (8) and 82.33 (9)° while the dihedral angles between the ring and the CO(2)H group in the acids are 2.19 (9) and 7.02 (10)°. A two-dimensional structure parallel to the ab plane is generated from the heterodimer units through hydrogen-bonding associations between NH(2) and sulfone groups. Between neighbouring two-dimensional arrays there are two types of aromatic π–π stacking interactions involving either one of the pyrimidine rings and a 4-nitrobenzoic acid molecule [minimum ring centroid separation = 3.5886 (9) Å] or two acid molecules [minimum ring centroid separation = 3.7236 (10) Å]. |
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