4-Methyl-1-(4-methylbenzylidene)thio-semicarbazide

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
• Thio-semicarbazide derivatives are known for diverse biological activities and coordination chemistry.

Purpose of the Study:

• To synthesize and characterize a novel compound derived from 4-methyl-benzaldehyde and 4-methyl-thio-semicarbazide.
• To elucidate the crystal structure and intermolecular interactions of the title compound.

Main Methods:

• Single crystal X-ray diffraction analysis.
• Synthesis of the title compound via condensation reaction.

Main Results:

• The synthesized compound, C(10)H(13)N(3)S, exhibits an approximately planar structure.
• An intramolecular N-H⋯N hydrogen bond stabilizes the molecular conformation, forming an S(5) ring.
• In the crystal lattice, inversion dimers are formed via N-H⋯S hydrogen bonds, which further assemble into (100) sheets through additional N-H⋯S interactions.

Conclusions:

• The study provides a detailed structural analysis of a novel thio-semicarbazide derivative.
• The observed hydrogen bonding network highlights the importance of weak interactions in crystal packing and supramolecular assembly.