5-Bromo-2-hy-droxy-benzonitrile
1Department of Chemistry, Vassar College, Poughkeepsie, NY 12604, USA.
Acta Crystallographica. Section E, Structure Reports Online
|September 13, 2012
Summary
This study details the crystal structure of C(7)H(4)BrNO, revealing nearly linear nitrile bonds and a one-dimensional hydrogen-bonded chain formed by phenol and nitrile interactions in the solid state.
Area of Science:
- Crystal structure analysis
- Organic chemistry
- Supramolecular chemistry
Background:
- Understanding molecular interactions is crucial for materials science.
- Hydrogen bonding plays a key role in crystal packing and material properties.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(7)H(4)BrNO.
- To investigate the nature of intermolecular interactions in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond angles and intermolecular distances was performed.
Main Results:
- The asymmetric unit contains two molecules of C(7)H(4)BrNO.
- Nearly linear nitrile bond angles (179.1(4)° and 177.1(4)°) were observed.
- A one-dimensional hydrogen-bonded chain was formed via phenol O-H···N interactions (N···O distances of 2.805(4) and 2.810(4) Å).
Conclusions:
- The crystal structure of C(7)H(4)BrNO is characterized by specific molecular geometry and intermolecular interactions.
- Hydrogen bonding dictates the formation of 1D chains, influencing the compound's solid-state organization.
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