The title compound, C₁₆H₁₃NS (3) was synthesized and characterized by ¹H nuclear magnetic resonance (NMR), mass spectra (MS), infrared (IR), thermogravimetric analysis, differential scanning calorimeter (DSC) and finally the structure is confirmed by single crystal X-ray diffraction method. The compound 3 crystallizes in the monoclinic crystal system and space group C2/c, with crystal parameters, a = 10.99364(4) Å, b = 12.3517(3) Å, c = 20.1045(6) Å, β = 103.082(3)⁰, Z = 8, and V = 2647.30(14) ų. The structure of the compound reveals that the intermolecular interactions of the type C–H…π, C– H…N, and S…S. The packing diagram of the molecules in the unit cell exhibit three-dimensional architecture. In addition inter contacts involved in intermolecular interactions are quantified using Hirshfeld surfaces analysis.

Title

Molecular Crystals and Liquid Crystals

Publisher

Molecular Crystals and Liquid Crystals

Publisher Country

United Kingdom

Indexing

Thomson Reuters

Impact Factor

1.5

Publication Type

Prtinted only

Volume

609

Year

2015

Pages

140-154