2,2'-(Piperazine-1,4-diyl)diethanaminium dibenzoate

Loading...
Thumbnail Image

Authors

Cukrowski, Ignacy
Adeyinka, Adedapo S.
Liles, David C.

Journal Title

Journal ISSN

Volume Title

Publisher

International Union of Crystallography

Abstract

The asymmetric unit of the title salt C8H22N4 2+2C7H5O2 , comprises two independent pairs of half a 2,2'-(piperazine-1,4- diyl)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 001 010 100 [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 intermolecular interactions 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-hydroxybenzoate [Cukrowski et al. (2012). Acta Cryst, E68, o2387], the nitrate and the tetrahydrogen pentaborate salts.

Description

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JJ2134).

Keywords

Single-crystal X-ray study, T = 180 K, Mean (C–C) = 0.002 A, R factor = 0.040, wR factor = 0.110, Data-to-parameter ratio = 17.9

Sustainable Development Goals

Citation

Cukrowski, I, Adeyinka, AS & Liles, DC 2012, '2,2'-(Piperazine-1,4-diyl)diethanaminium dibenzoate', Acta Crystallographica Section E-Structure Reports Online, vol. E68, no. o2389, pp. sup-1-8.