2-（4-氨基苯磺酰胺基）-4,6-二甲基嘧啶-1-鎓 2-羧基-4,6-二硝基苯酚盐
2-(4-Amino-benzene-sulfonamido)-4,6-dimethyl-pyrimidin-1-ium 2-carb-oxy-4,6-dinitro-phenolate.
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 Mar 2;69(Pt 4):o472. doi: 10.1107/S1600536813005631. Print 2013 Apr 1.
In the structure of the phenolate salt of the sulfa drug sulfamethazine with 3,5-dinitro-salicylic acid, C12H15N4O2S(+)·C7H3N2O7 (-), the dihedral angle between the pyrimidine and benzene rings of the cation is 59.70 (17)°. In the crystal, cation-anion hydrogen-bonding inter-actions involving pyrim-idine-carb-oxy N(+)-H⋯O and amine-carb-oxy N-H⋯O pairs give a cyclic R 2 (2)(8) motif while secondary N-H⋯O hydrogen bonds between the aniline group and both sulfone and nitro O-atom acceptors give a two-dimensional structure extending in (001).
在磺胺二甲嘧啶与3,5-二硝基水杨酸形成的酚盐结构C12H15N4O2S(+)·C7H3N2O7 (-)中，阳离子的嘧啶环与苯环之间的二面角为59.70 (17)°。在晶体中，涉及嘧啶-羰基N(+)-H⋯O和胺-羰基N-H⋯O对的阳离子-阴离子氢键相互作用形成了一个环状R 2 (2)(8) motif，而苯胺基团与砜和硝基O原子受体之间的二级N-H⋯O氢键形成了一个在(001)方向延伸的二维结构。
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