Thompson Laura J, Voguri Raja S, Cowell Adam, Male Louise, Tremayne Maryjane
School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, England.
Acta Crystallogr C. 2010 Aug;66(Pt 8):o421-4. doi: 10.1107/S0108270110027319. Epub 2010 Jul 20.
In the asymmetric unit of the crystal structure of nicotinamide-succinic acid (2/1), 2C(6)H(6)N(2)O x C(4)H(6)O(4), there are two independent nicotinamide molecules in general positions and two half succinic acid molecules which lie about inversion centres. The structure contains acid-pyridine and amide-amide synthons with nicotinamide molecules forming ladders of alternating R(2)(2)(8) and R(4)(2)(8) rings linked through succinic acid to generate a corrugated hydrogen-bonded sheet. This sheet is a common supramolecular unit found in other 2:1 nicotinamide-dicarboxylic acid cocrystals, but the presence of two crystallographically distinct nicotinamides with anti and syn conformations, forming two distinct sheets within the same structure, is a novel packing feature in this type of material.
在烟酰胺-琥珀酸(2/1)的晶体结构不对称单元中,即2C(6)H(6)N(2)O·C(4)H(6)O(4),有两个处于一般位置的独立烟酰胺分子和两个位于对称中心的半琥珀酸分子。该结构包含酸-吡啶和酰胺-酰胺合成子,烟酰胺分子形成由交替的R(2)(2)(8)和R(4)(2)(8)环组成的梯子,通过琥珀酸相连,生成一个波纹状的氢键片层。该片层是在其他2:1烟酰胺-二羧酸共晶体中发现的常见超分子单元,但在同一结构中存在两种具有反式和顺式构象的晶体学上不同的烟酰胺,形成两个不同的片层,这是这类材料中一种新颖的堆积特征。