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Related Experiment Video

Updated: Jan 20, 2026

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Piperazin-1-ium tri-aqua-di-bromido-sodium.

William T A Harrison1

  • 1Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, Scotland, United Kingdom.

Iucrdata
|January 19, 2026
PubMed
Summary
This summary is machine-generated.

This study details the crystal structure of a novel sodium bromide hydrate compound. It features a unique 3D honeycomb network of anions and cations within porous channels.

Keywords:
complex ioncrystal structuresodiumtrigonal bipyramid

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Area of Science:

  • Crystal chemistry
  • Coordination chemistry
  • Supramolecular chemistry

Background:

  • Understanding the assembly of complex inorganic-organic hybrid materials is crucial for designing novel functional compounds.
  • Sodium bromide hydrates offer a versatile platform for exploring diverse crystal structures and hydrogen-bonding interactions.

Purpose of the Study:

  • To elucidate the detailed crystal structure of the (C4H11N2)[NaBr2(H2O)3] compound.
  • To investigate the coordination geometry around the sodium ion and the conformation of the organic cation.
  • To analyze the hydrogen bonding network and the resulting supramolecular architecture.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
  • Analysis of bond lengths, angles, and hydrogen bonding interactions was performed.
  • Symmetry operations and coordination geometries were characterized.

Main Results:

  • The organic cation adopts a chair conformation, with one N-H bond being half-occupied.
  • The sodium ion exhibits a distorted trigonal-bipyramidal coordination with bromide ions and water molecules.
  • A 3D 'honeycomb' network of complex anions is formed via O-H⋯Br hydrogen bonds, creating channels occupied by cations.

Conclusions:

  • The crystal structure reveals a complex interplay between inorganic anions, water molecules, and organic cations.
  • Hydrogen bonding plays a critical role in stabilizing the 3D porous network and directing the self-assembly process.
  • The compound represents an interesting example of a coordination polymer with potential for host-guest chemistry.