N-(3-Chloro-4-methyl-phen-yl)succinamic acid

Area of Science:

• Crystallography
• Organic Chemistry
• Solid-State Chemistry

Background:

• Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
• The specific arrangement of functional groups dictates crystal lattice formation and material properties.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C(11)H(12)ClNO(3).
• To analyze the conformational preferences 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 orientations, dihedral angles, and hydrogen bonding networks was performed.

Main Results:

• The asymmetric unit contains two independent molecules with distinct, yet similar, conformations.
• Specific anti and syn relationships were observed between amide, carboxyl, and benzene ring functional groups.
• Intermolecular O-H⋯O and N-H⋯O hydrogen bonds facilitate sheet-like packing parallel to the (11-3) plane.

Conclusions:

• The crystal structure provides insights into the conformational behavior of the molecule in the solid state.
• Hydrogen bonding plays a key role in organizing molecules into extended supramolecular structures.
• Detailed structural data can inform the design of related compounds with tailored properties.