N-(2,5-Dimethyl-phen-yl)succinamic acid monohydrate

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding molecular conformation is crucial for predicting chemical properties.
• Hydrogen bonding plays a significant role in crystal engineering and material science.

Purpose of the Study:

• To elucidate the detailed molecular structure and conformation of the title compound (C12H15NO3·H2O).
• To investigate the hydrogen bonding patterns and crystal packing of the compound.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Conformational analysis of the molecule was performed based on the determined structure.

Main Results:

• The N-H bond conformation was determined relative to methyl groups on the benzene ring.
• Specific anti and syn conformations were observed for amide oxygen, carbonyl oxygen, and acid group bonds.
• The water molecule participates in hydrogen bonding with three other compound molecules.
• Intermolecular hydrogen bonds (O-H⋯O and N-H⋯O) lead to the formation of infinite chains in the crystal.

Conclusions:

• The study provides a detailed structural characterization of the compound.
• The observed hydrogen bonding network dictates the crystal packing and supramolecular assembly.