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Related Experiment Videos

2,2'-Bipyridinium(1+) bromide monohydrate.

Richard J Bowen1, Manuel A Fernandes, Patricia W Gitari

  • 1Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, PO Wits 2050, South Africa.

Acta Crystallographica. Section C, Crystal Structure Communications
|February 10, 2004
PubMed
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The crystal structure of 2,2'-bipyridinium(1+) bromide monohydrate reveals a cisoid conformation stabilized by intramolecular hydrogen bonds. These interactions, along with water and bromide anions, form a chain structure along the b axis.

Area of Science:

  • Crystallography
  • Chemical Physics
  • Materials Science

Background:

  • Understanding the intermolecular forces governing crystal structures is crucial for predicting material properties.
  • 2,2 -bipyridine derivatives are important ligands in coordination chemistry and supramolecular assemblies.
  • The role of hydrogen bonding and other non-covalent interactions in stabilizing crystalline solids requires detailed investigation.

Purpose of the Study:

  • To elucidate the detailed crystal structure of 2,2 -bipyridinium(1+) bromide monohydrate.
  • To identify and characterize the hydrogen bonding network and other stabilizing interactions within the crystal lattice.
  • To understand the conformational preferences of the 2,2 -bipyridinium cation in the solid state.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the three-dimensional crystal structure.

Related Experiment Videos

  • Analysis of bond lengths, bond angles, and intermolecular distances was performed.
  • Hydrogen bonding interactions (N-H···N, N-H···O, O-H···Br) and pi-pi stacking were identified and quantified.

    • Main Results:

    • The crystal structure of 2,2 -bipyridinium(1+) bromide monohydrate, C(10)H(9)N(2)(+).Br(-).H(2)O, was successfully determined.
    • The 2,2 -bipyridinium cation adopts a cisoid conformation featuring an intramolecular N-H···N hydrogen bond.
    • A complex hydrogen bonding network involving the cation, water molecules, and bromide anions forms a chain structure along the b axis, further stabilized by C-H···Br and pi-pi interactions.

    Conclusions:

    • The crystal packing is primarily dictated by a combination of strong hydrogen bonds and weaker non-covalent interactions.
    • The observed cisoid conformation and the extended chain structure highlight the intricate self-assembly mechanisms in this molecular salt.
    • This study provides valuable insights into the structure-property relationships of 2,2 -bipyridinium based materials.