(E)-N'-(3,3-Diphenyl-allyl-idene)-p-toluene-sulfonohydrazide

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• The study of intermolecular forces, such as hydrogen bonds, provides insights into crystal packing and material properties.

Purpose of the Study:

• To elucidate the precise molecular geometry and conformation of the title compound, C(22)H(20)N(2)O(2)S.
• To investigate the intermolecular interactions governing the crystal structure of this organic molecule.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided detailed conformational information.

Main Results:

• The molecule exhibits a twisted E configuration around the central C=N bond.
• Significant twisting between the phenyl rings (dihedral angle of 78.00°) and between the methyl-substituted benzene ring and the phenyl rings (32.37° and 69.70°) was observed.
• Intermolecular N-H⋯O hydrogen bonds were identified, linking molecules into chains along the b-axis in the crystal lattice.

Conclusions:

• The compound possesses a distinct, non-planar molecular architecture due to steric hindrance and electronic effects.
• The observed hydrogen bonding network plays a key role in the self-assembly and stabilization of the crystal structure.