N,N'-Bis(3-methyl-phen-yl)succinamide dihydrate

Area of Science:

• Crystallography
• Molecular Chemistry
• Solid-State Chemistry

Background:

• Understanding molecular structure and intermolecular interactions is crucial for predicting material properties.
• Crystal engineering relies on detailed knowledge of molecular packing and hydrogen bonding networks.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C18H20N2O2·2H2O.
• To analyze the molecular conformation, symmetry, and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, bond angles, dihedral angles, and hydrogen bonding patterns.

Main Results:

• The asymmetric unit contains half a molecule with a center of symmetry, indicating molecular symmetry.
• Hydrogen bonding (O-H⋯O and N-H⋯O) drives the formation of layered structures parallel to the bc plane.
• Disordered methyl group substitution on the benzene ring was observed with specific site-occupation factors.

Conclusions:

• The crystal structure of C18H20N2O2·2H2O is characterized by molecular symmetry and specific hydrogen bonding interactions.
• The observed packing arrangement leads to the formation of distinct layers in the solid state.
• Methyl group disorder influences the local molecular environment and crystal packing.