Piperazin-1-ium triaquadibromidosodium

In the title compound, (C<sub>4</sub>H<sub>11</sub>N<sub>2</sub>)[NaBr<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>], the complete organic cation, which adopts a typical chair conformation, is generated by crystallographic inversion symmetry and one of the N-bonded H atoms is half occupied. The sodium ion (site symmetry <i>m</i>) at the centre of the complex anion adopts a distorted trigonal-bipyramidal coordination geometry with the water mol-ecules in the equatorial sites and the bromide ions in the axial sites. In the extended structure, O-H⋯Br hydrogen bonds generate a porous 'honeycomb' three-dimensional network of complex anions encapsulating [010] channels occupied by the cations, which are linked to each other by N-H⋯N hydrogen bonds and anchored to the honeycomb network <i>via</i> N-H⋯Br hydrogen bonds.

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Publication Details

Journal
IUCrData
Published
2025-11-06
DOI
https://doi.org/10.1107/s241431462500985x
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

Piperazin-1-ium triaquadibromidosodium

William T. A. Harrison
IUCrData
Crystal structures of chemical compounds
article

Piperazin-1-ium triaquadibromidosodium

William T. A. Harrison
article en

Abstract

In the title compound, (C<sub>4</sub>H<sub>11</sub>N<sub>2</sub>)[NaBr<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>], the complete organic cation, which adopts a typical chair conformation, is generated by crystallographic inversion symmetry and one of the N-bonded H atoms is half occupied. The sodium ion (site symmetry <i>m</i>) at the centre of the complex anion adopts a distorted trigonal-bipyramidal coordination geometry with the water mol-ecules in the equatorial sites and the bromide ions in the axial sites. In the extended structure, O-H⋯Br hydrogen bonds generate a porous 'honeycomb' three-dimensional network of complex anions encapsulating [010] channels occupied by the cations, which are linked to each other by N-H⋯N hydrogen bonds and anchored to the honeycomb network <i>via</i> N-H⋯Br hydrogen bonds.

IUCrDataVol. 10(11)
University of Aberdeen (GB)
Openalex Percentile: Top 71%
Crystal structures of chemical compounds
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