2,2'-(Piperazine-1,4-di-yl)diethanaminium dibenzoate.

Acta Crystallogr Sect E Struct Rep Online

Department of Chemistry, University of Pretoria, Private Bag X20, Hatfield 0028, South Africa.

Published: August 2012

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.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414314PMC
http://dx.doi.org/10.1107/S1600536812030115DOI Listing

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