Cukrowski Ignacy, Adeyinka Adedapo S, Liles David C
Department of Chemistry, University of Pretoria, Private Bag X20, Hatfield 0028, South Africa.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2389. doi: 10.1107/S1600536812030115. Epub 2012 Jul 7.
The asymmetric unit of the title salt C(8)H(22)N(4) (2+)·2C(7)H(5)O(2) (-), comprises two independent pairs of half a 2,2'-(piperazine-1,4-di-yl)diethanaminium dication plus a benzoate anion. The dications are symmetrical and lie across crystallographic centres of inversion. The crystal structure was refined as a two-component pseudo-merohedral twin using the twin law 001 0-10 100 [he domain fractions are 0.8645 (8) and 0.1355 (8)]. The anions and cations are linked by N-H⋯O hydrogen bonds and weak N-H⋯O inter-molecular inter-actions to form infinite two-dimensional networks parallel to [101]. The conformation adopted by the cation in the crystal structure is very similar to that adopted by the same cation in the structures of the 2-hy-droxy-benzoate [Cukrowski et al. (2012 ▶). Acta Cryst, E68, o2387], the nitrate and the tetra-hydrogen penta-borate salts.
标题盐C(8)H(22)N(4)(2+)·2C(7)H(5)O(2)(-)的不对称单元包含两对独立的半个2,2'-(哌嗪-1,4-二基)二乙铵双阳离子以及一个苯甲酸根阴离子。双阳离子是对称的，且位于晶体学反演中心上。晶体结构使用孪生定律001 0-10 100作为双组分假孪生体进行精修[孪晶域分数分别为0.8645 (8)和0.1355 (8)]。阴离子和阳离子通过N-H⋯O氢键以及弱的N-H⋯O分子间相互作用相连，形成平行于[101]的无限二维网络。晶体结构中阳离子所采用的构象与2-羟基苯甲酸盐[Cukrowski等人(2012 ▶). Acta Cryst, E68, o2387]、硝酸盐和四氢五硼酸盐结构中相同阳离子所采用的构象非常相似。
