4-氨基-N-(4,6-二甲基嘧啶-2-基)苯磺酰胺-2-硝基苯甲酸(1/1)
4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)benzene-sulfonamide-2-nitro-benzoic acid (1/1).
作者信息
Smith Graham, Wermuth Urs D
机构信息
Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Feb 1;69(Pt 2):o234. doi: 10.1107/S1600536813000779. Epub 2013 Jan 12.
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.
在标题共晶体C(12)H(14)N(4)O(2)S·C(7)H(5)NO(4)的不对称单元中，磺胺二甲嘧啶和2-硝基苯甲酸分子通过分子间酰胺-羧酸N-H⋯O和羧酸-嘧啶O-H⋯N氢键对形成异二聚体，形成一个环状基序[图集R(2) (2)(8)]。磺胺二甲嘧啶分子中两个芳环系统之间的二面角为88.96 (18)°，酸的硝基存在50%的旋转无序。仲苯胺N-H⋯O(砜)氢键缔合形成一个平行于ab平面的二维结构。
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