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4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)benzene-sulfonamide-2-nitro-benzoic acid (1/1).

ABSTRACT: In the asymmetric unit of the title co-crystal, C(12)H(14)N(4)O(2)S·C(7)H(5)NO(4), the sulfamethazine and 2-nitro-benzoic acid mol-ecules form a heterodimer through inter-molecular amide-carb-oxy-lic acid N-H?O and carb-oxy-lic acid-pyrimidine O-H?N hydrogen-bond pairs, giving a cyclic motif [graph set R(2) (2)(8)]. The dihedral angle between the two aromatic ring systems in the sulfamethazine mol-ecule is 88.96?(18)° and the nitro group of the acid is 50% rotationally disordered. Secondary aniline N-H?O(sulfone) hydrogen-bonding associations give a two-dimensional structure lying parallel to the ab plane.

SUBMITTER: Smith G

PROVIDER: S-EPMC3569767 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)benzene-sulfonamide-2-nitro-benzoic acid (1/1).

Smith Graham G Wermuth Urs D UD

Acta crystallographica. Section E, Structure reports online 20130112 Pt 2

In the asymmetric unit of the title co-crystal, C(12)H(14)N(4)O(2)S·C(7)H(5)NO(4), the sulfamethazine and 2-nitro-benzoic acid mol-ecules form a heterodimer through inter-molecular amide-carb-oxy-lic acid N-H⋯O and carb-oxy-lic acid-pyrimidine O-H⋯N hydrogen-bond pairs, giving a cyclic motif [graph set R(2) (2)(8)]. The dihedral angle between the two aromatic ring systems in the sulfamethazine mol-ecule is 88.96 (18)° and the nitro group of the acid is 50% rotationally disordered. Secondary anil ...[more]

PMID: 23424513

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