3-Methoxy-benzaldehyde thio-semi-carbazone.

Area of Science:

• Organic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Thiosemicarbazones are versatile ligands with diverse biological activities.
• Benzaldehyde derivatives are common precursors in organic synthesis.
• Understanding molecular conformation and intermolecular interactions is crucial for predicting material properties.

Purpose of the Study:

• To synthesize and characterize a novel thiosemicarbazone derivative.
• To investigate the molecular structure and conformation of the synthesized compound.
• To explore the intermolecular interactions and crystal packing.

Main Methods:

• Chemical synthesis involving the reaction of 3-methoxy-benzaldehyde and thiosemicarbazide.
• Single-crystal X-ray diffraction to determine the molecular structure and conformation.
• Analysis of hydrogen bonding patterns (intramolecular and intermolecular).

Main Results:

• Successful synthesis of the target compound with chemical formula C(9)H(11)N(3)OS.
• The crystal structure revealed a slight twist between the benzylidene ring and the thiosemicarbazone fragment (dihedral angle of 14.1°).
• A weak intramolecular N-H⋯N hydrogen bond was observed, potentially influencing molecular conformation.
• Intermolecular N-H⋯S hydrogen bonds were identified, leading to the formation of a three-dimensional network.

Conclusions:

• The synthesized compound C(9)H(11)N(3)OS exhibits a unique twisted conformation.
• Intramolecular hydrogen bonding plays a role in stabilizing the molecular structure.
• Extensive intermolecular hydrogen bonding results in a robust 3D supramolecular architecture.