Crystal structure and biological evaluation of 4-methyl­morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri­nitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate

Acta Crystallographica Section E: Crystallographic Communications

Gomathi, J.¹  Kalaivani, D.¹ 

[1] PG and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, Tamil Nadu, India

关键词: CRYSTAL STRUCTURE;    ANTICONVULSANT ACTIVITY;    HYPNOTIC ACTIVITY;    BARBITURATE;    MOLECULAR SALT;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015010075

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title mol­ecular salt, C5H12NO+·C12H8N5O9− [common name: 4-methyl­morpholin-4-ium 1,3-dimethyl-5-(2,4,6-tri­nitro­phen­yl)barbiturate], possesses noticeable anti­convulsant and hypnotic activity. In the anion, the 1,3-di­methyl­barbituric acid ring and the symmetrically substituted tri­nitro­phenyl ring, linked via a C—C bond, are not coplanar but subtend an angle of 44.88 (7)°. The six-membered ring of the 4-methyl­morpholin-4-ium cation has a chair conformation. In the crystal, the cation and anion are linked via an N—H⋯O hydrogen bond. The cation–anion units are linked by a number of C—H⋯O hydrogen bonds, forming a three-dimensional network.

【 授权许可】

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