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2-(4-Bromo-phen-yl)-2-oxoethyl 4-methyl-benzoate
This study details a novel organic compound, C(16)H(13)BrO(3), featuring linked toluene and bromo-benzene rings. The research highlights its unique dihedral angle and crystal structure stabilized by hydrogen bonds.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding the structure-property relationships of organic molecules is crucial in chemical research.
- Bromo-aromatic compounds and their derivatives are important in various chemical syntheses.
Purpose of the Study:
- To characterize the molecular structure and crystal packing of a novel organic compound, C(16)H(13)BrO(3).
- To investigate the intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles was performed.
Main Results:
- The title compound, C(16)H(13)BrO(3), was synthesized and structurally characterized.
- A significant dihedral angle of 80.70(7)° was observed between the toluene and bromo-benzene rings.
- Intermolecular C-H⋯O hydrogen bonds were identified, forming a three-dimensional crystal network.
Conclusions:
- The study provides a detailed structural analysis of a novel organic compound.
- The observed hydrogen bonding network explains the stability of the crystal structure.
- This structural information can be valuable for further research in organic synthesis and materials science.
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