3-Chloro-N-phenyl-benzamide.

Area of Science:

• Organic Chemistry
• Crystallography
• Solid-State Chemistry

Background:

• Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
• Chlorinated aromatic compounds exhibit diverse applications, making their structural characterization important.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(13)H(10)ClNO.
• To analyze the molecular conformation, including the orientation of the meta-chloro group and the dihedral angle between aromatic rings.
• To investigate intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the compound.
• Analysis of bond lengths, bond angles, and torsion angles provided conformational details.
• Intermolecular interactions were identified and characterized using hydrogen bond analysis.

Main Results:

• The crystal structure of C(13)H(10)ClNO was successfully determined.
• The meta-chloro substituent on the benzoyl ring was found to be positioned syn to the carbonyl (C=O) bond.
• A significant dihedral angle of 88.5(3)° was observed between the two aromatic rings.
• N-H⋯O hydrogen bonds were identified, leading to the formation of C(4) chains propagating along the [010] direction.

Conclusions:

• The study provides a detailed crystallographic description of the title compound.
• The observed molecular conformation and hydrogen bonding pattern offer insights into the packing forces governing the solid state of this meta-chloro benzoyl derivative.
• The findings contribute to the understanding of structure-property relationships in chlorinated organic molecules.