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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)...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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
Descripción
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].