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

ABSTRACT: 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.

SUBMITTER: Cukrowski I

PROVIDER: S-EPMC3414314 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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

Cukrowski Ignacy I Adeyinka Adedapo S AS Liles David C DC

Acta crystallographica. Section E, Structure reports online 20120707 Pt 8

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 w ...[more]

PMID: 22904847

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