Benzene-1,2,4,5-tetracarboxylicacidbis(1,3,7-trimethyl- 2,3,6,7-tetrahydro1H- purine-2,6-dione)

被引：1

作者：

Arman, Hadi D. ^{[1
]}

Tiekink, Edward R. T. ^{[2
]}

机构：

[1] Univ Texas San Antonio, Dept Chem, San Antonio, TX 78249 USA

[2] Univ Malaya, Dept Chem, Kuala Lumpur 50603, Malaysia

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷

关键词：

single-crystal X-ray study; T = 98 K; mean sigma(C-C) = 0.002 angstrom; R factor = 0.044; wR factor = 0.120; data-to-parameter ratio = 14.7;

D O I：

10.1107/S1600536813022563

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The asymmetric unit of the title co-crystal, C10H6O8 center dot 2C(8)H(10)N(4)O(2), comprises a centrosymmetric benzene-1,2,4,5-tetracarboxylic acid (LH4) molecule and a molecule of caffeine in a general position. LH4 is nonplanar, with the dihedral angles between the ring and pendent carboxylic acid groups being 44.22 (7) and 49.74 (7)degrees. By contrast, the caffeine molecule is planar (r.m.s. deviation = 0.040 A degrees). Supramolecular layers parallel to (110) are sustained by carboxylic acid O-H center dot center dot center dot O(carbonyl) and O-H center dot center dot center dot N(imidazole) hydrogen bonds, as well as by methyl-carbonyl C-H center dot center dot center dot O interactions. These stack via pi-pi interactions between the benzene and imidazole rings [inter-centroid distance = 3.4503 (10) angstrom].

引用

页码：O1443 / +

页数：8

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