4-Bromo-2-[(E)-(2-fluoro-5-nitro-phenyl)iminometh-yl]phenol
Shaaban K Mohamed1, Mehmet Akkurt, Peter N Horton
1Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, El-Minia, Egypt.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
This study reveals the nearly planar molecular structure of C13H8BrFN2O3, stabilized by intramolecular hydrogen bonds. Crystal analysis shows molecules forming dimers through intermolecular hydrogen bonds.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Understanding molecular conformation is crucial for predicting chemical properties and interactions.
- Hydrogen bonding plays a significant role in stabilizing molecular structures and directing crystal packing.
Purpose of the Study:
- To determine the precise molecular conformation of C13H8BrFN2O3.
- To investigate the intermolecular interactions and crystal packing of the title compound.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the molecular structure.
- Analysis of hydrogen bonding networks and ring motifs in the crystal lattice.
Main Results:
- The molecular conformation of C13H8BrFN2O3 was found to be essentially planar.
- An intramolecular O-H⋯N hydrogen bond stabilizes the molecule, forming an S(6) ring.
- In the crystal, molecules form inversion dimers via C-H⋯O hydrogen bonds, creating R(2)2(7), R(2)2(10), and R(2)2(7) ring motifs.
Conclusions:
- The study elucidates the detailed solid-state structure of C13H8BrFN2O3.
- The observed hydrogen bonding patterns provide insights into the supramolecular assembly of this compound.
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