Phenyl N-(2-methyl-phen-yl)carbamate
Summary
This study details the molecular structure of a novel organic compound, C(14)H(13)NO(2). It describes the specific angles between its aromatic rings and the central carbamate group, revealing a unique crystal interaction.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Carbamate compounds are of interest due to their diverse applications in pharmaceuticals and materials science.
Purpose of the Study:
- To elucidate the precise molecular geometry and crystal packing of the title compound, C(14)H(13)NO(2).
- To investigate the spatial relationships between the aromatic rings and the central carbamate moiety.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Analysis of dihedral angles and intermolecular interactions within the crystal lattice.
Main Results:
- The dihedral angles between the aromatic rings and the carbamate group were determined to be 62.65(9)° and 38.28(11)°.
- The benzene rings exhibited a dihedral angle of 39.22(10)° relative to each other.
- A weak C-H⋯π intermolecular interaction was identified in the crystal structure.
Conclusions:
- The study provides a detailed structural characterization of C(14)H(13)NO(2), highlighting its specific conformational preferences.
- The identified weak intermolecular interaction offers insights into crystal packing and potential solid-state properties.
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