Abstract
In the asymmetric unit of the title co-crystal, C7H5NO4·C12H14N4O2S, there are two independent but conformationally similar heterodimers, which are formed through intermolecular N—H⋯Ocarboxy 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 CO2H 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 NH2 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].
Highlights
In the asymmetric unit of the title co-crystal, C7H5NO4C12H14N4O2S, there are two independent but conformationally similar heterodimers, which are formed through intermolecular N—H Ocarboxy and carboxyl–pyrimidine O—
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 CO2H 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 NH2 and sulfone groups
Summary
In the asymmetric unit of the title co-crystal, C7H5NO4C12H14N4O2S, there are two independent but conformationally similar heterodimers, which are formed through intermolecular N—H Ocarboxy and carboxyl–pyrimidine O—. 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 CO2H 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 NH2 and sulfone groups. Between neighbouring two-dimensional arrays there are two types of aromatic – stacking interactions involving either one of the pyrimidine rings and a 4nitrobenzoic 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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