Methyl N-(4-chloro-phen-yl)carbamate

Area of Science:

• Crystallography
• Chemical Physics
• Organic Chemistry

Background:

• Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
• Molecular interactions, such as hydrogen bonding, dictate crystal packing and influence material characteristics.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(8)H(8)ClNO(2).
• To analyze the molecular conformation and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided conformational insights.
• Hydrogen bond analysis identified specific intermolecular interactions.

Main Results:

• The dihedral angle between the chloro-benzene ring and the side chain was determined to be 8.79(11)°.
• Molecules are interconnected by N-H⋯O hydrogen bonds.
• These hydrogen bonds facilitate the formation of a C(4) chain motif propagating along the b-axis.

Conclusions:

• The crystal structure of C(8)H(8)ClNO(2) is characterized by a specific dihedral angle and a hydrogen-bonded chain architecture.
• The identified N-H⋯O hydrogen bonding network plays a significant role in the crystal packing and stability of the compound.