7-Chloro-3-phenyl-benzo[4,5]thia-zolo[2,3-c][1,2,4]triazole.

Area of Science:

• Crystallography
• Materials Science
• Organic Chemistry

Background:

• Understanding the solid-state structure of organic compounds is essential for predicting their physical and chemical properties.
• Heterocyclic compounds containing nitrogen and sulfur are widely studied for their diverse applications.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(14)H(8)ClN(3)S.
• To investigate the intermolecular interactions governing the compound's solid-state packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding and π-π stacking interactions was performed.

Main Results:

• The crystal structure revealed a dihedral angle of 62.25° between the fused ring system and the phenyl ring.
• Molecules form infinite chains via C-H⋯N hydrogen bonds.
• Aromatic π-π stacking and C-H⋯π interactions were identified.

Conclusions:

• The determined crystal structure provides a foundation for understanding the structure-property relationships of this class of compounds.
• The observed intermolecular interactions are key factors in the compound's self-assembly in the solid state.