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Updated: Jun 1, 2026
09:46
Qualitative Identification of Carboxylic Acids, Boronic Acids, and Amines Using Cruciform Fluorophores
Published on: August 19, 2013
2-Bromo-pyridine-3-carboxylic acid
Summary
This study reveals the twisted structure of a carboxylic acid in C(6)H(4)BrNO(2). Crystal analysis shows hydrogen bonds forming molecular chains and C-H interactions stabilizing the crystal packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular conformation is crucial for predicting chemical properties.
- Crystal packing influences material characteristics and intermolecular interactions.
Purpose of the Study:
- To analyze the crystal structure and intermolecular interactions of the title compound C(6)H(4)BrNO(2).
- To investigate the conformational details of the carboxylic acid group within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of torsion angles and hydrogen bonding networks was performed.
Main Results:
- The carboxylic acid residue exhibits a significant twist out of the molecular plane, with a specific torsion angle of -20.1°.
- Supramolecular chains are formed through O-H⋯N hydrogen bonds along the [201] direction.
- C-H⋯O interactions further stabilize the crystal packing.
Conclusions:
- The non-planar conformation of the carboxylic acid group is a key structural feature.
- Hydrogen bonding and van der Waals forces play critical roles in the self-assembly and stabilization of the crystal structure.
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