Phenyl N-(p-tol-yl)carbamate

Area of Science:

• Crystallography
• Molecular Chemistry
• Solid-State Chemistry

Background:

• Understanding the three-dimensional arrangement of molecules is crucial in chemistry.
• Crystal structure analysis provides fundamental insights into molecular conformation and intermolecular forces.
• The specific compound C(14)H(13)NO(2) was selected for detailed structural investigation.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(14)H(13)NO(2).
• To analyze the orientation of independent molecules within the asymmetric unit.
• To identify and characterize intermolecular interactions, such as hydrogen bonding.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of the asymmetric unit revealed the presence of two crystallographically independent molecules.
• Dihedral angles between aromatic rings were measured.

Main Results:

• The asymmetric unit contains two independent molecules of C(14)H(13)NO(2).
• The dihedral angles of the aromatic rings in the two molecules were determined to be 59.01(3)° and 56.98(3)°.
• Intermolecular N-H⋯O hydrogen bonds were observed, linking the molecules into chains.

Conclusions:

• The crystal structure of C(14)H(13)NO(2) has been successfully determined.
• The observed hydrogen bonding pattern dictates the formation of extended molecular chains in the solid state.
• This structural information contributes to the understanding of structure-property relationships in organic compounds.