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Elucidating the Metabolism of 2,4-Dibromophenol in Plants
Published on: February 10, 2023
4-Bromo-2-{(E)-[(3,4-dimethyl-phen-yl)imino]-meth-yl}phenol
Acta Crystallographica. Section E, Structure Reports Online
|September 13, 2012
Summary
This study details the crystal structure of a brominated organic compound, C15H14BrNO. The molecule exhibits near planarity with a small dihedral angle between its aromatic rings and features an intramolecular hydrogen bond.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding molecular geometry is crucial in organic chemistry.
- Crystal structure analysis provides insights into intermolecular forces and molecular packing.
Purpose of the Study:
- To determine the precise three-dimensional structure of the title compound, C15H14BrNO.
- To investigate the presence and nature of intramolecular and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the molecular and crystal structure.
- Analysis of bond lengths, bond angles, dihedral angles, and hydrogen bonding was performed.
Main Results:
- The molecule C15H14BrNO was found to be nearly planar, with a dihedral angle of 4.10(11)° between aromatic rings.
- An intramolecular hydrogen bond (O-H⋯N) was identified, forming an S(6) ring.
- Weak C-H⋯π interactions were observed in the crystal packing.
Conclusions:
- The crystal structure of C15H14BrNO reveals a near-planar conformation influenced by an intramolecular hydrogen bond.
- Intermolecular C-H⋯π interactions play a role in stabilizing the crystal structure.
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