(2E)-2-Benzyl-idene-N-phenyl-hydrazinecarboxamide

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the solid-state structure of organic molecules is crucial for predicting their physical and chemical properties.
• Hydrogen bonding and intermolecular interactions play a significant role in crystal packing and material characteristics.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of the title compound (C14H13N3O).
• To analyze the conformation, planarity, and hydrogen bonding patterns in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, dihedral angles, and intermolecular contacts was performed.

Main Results:

• The molecule adopts an E conformation and is nearly planar, with a small dihedral angle between terminal benzene rings (5.74°).
• An intramolecular N-H⋯N hydrogen bond forms an S(6) ring.
• Centrosymmetric dimers are formed via intermolecular N-H⋯O hydrogen bonds, which stack in slanted arrays with short C⋯C distances (3.283 Å).
• Weak C-H⋯π interactions further stabilize the three-dimensional crystal structure.

Conclusions:

• The study provides a detailed structural characterization of C14H13N3O in the solid state.
• The observed hydrogen bonding and π-π interactions dictate the crystal packing, offering insights into structure-property relationships.