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