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Piperazine-1,4-diium bis-(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox-ylate) monohydrate.

ABSTRACT: The title compound, C(4)H(12)N(2) (2+)·2C(8)H(9)N(2)O(4) (-)·H(2)O, is a hydrated proton-transfer compound obtained from 2-propyl-1H-imidazole-4,5-dicarb-oxy-lic acid and piperazine. The asymmetric unit contains one half-cation, one anion and half a water mol-ecule. There is a centre of inversion at the centre of the cation ring and the water molecule O atom lies on a twofold rotation axis. In the crystal, inter-molecular N-H?O and N-H?N hydrogen bonds help to construct a three-dimensional framework. Almost symmetrical, intramolecular O-H?O inter-actions are also observed.

SUBMITTER: Gao ZQ 

PROVIDER: S-EPMC3050275 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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Piperazine-1,4-diium bis-(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox-ylate) monohydrate.

Gao Zhu-Qing ZQ   Gu Jin-Zhong JZ  

Acta crystallographica. Section E, Structure reports online 20101204 Pt 1

The title compound, C(4)H(12)N(2) (2+)·2C(8)H(9)N(2)O(4) (-)·H(2)O, is a hydrated proton-transfer compound obtained from 2-propyl-1H-imidazole-4,5-dicarb-oxy-lic acid and piperazine. The asymmetric unit contains one half-cation, one anion and half a water mol-ecule. There is a centre of inversion at the centre of the cation ring and the water molecule O atom lies on a twofold rotation axis. In the crystal, inter-molecular N-H⋯O and N-H⋯N hydrogen bonds help to construct a three-dimensional frame  ...[more]

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