Synthesis, characterization, crystal structure, and hirshfeld surface analysis of (2z)-3-(methylsulfanyl)-2,3-diphenylprop 2-enenitrile

Vinayaka, A. C. and Manjunath, R. and Kumar, S. M. and Abdoh, M. M. and Sadashiva, M. P. and Lokanath, N. K. (2015) Synthesis, characterization, crystal structure, and hirshfeld surface analysis of (2z)-3-(methylsulfanyl)-2,3-diphenylprop 2-enenitrile. Molecular Crystals and Liquid Crystals, 609 (1). pp. 140-154. ISSN 1563-5287

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The title compound, C16H13NS (3) was synthesized and characterized by H-1 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) angstrom, b = 12.3517(3) angstrom, c = 20.1045(6) angstrom, beta = 103.082(3)(0), Z = 8, and V = 2647.30(14) angstrom(3). The structure of the compound reveals that the intermolecular interactions of the type C-H horizontal ellipsis pi, C- H horizontal ellipsis N, and S horizontal ellipsis 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.

Item Type: Article
Subjects: C Chemical Science > Chemistry
D Physical Science > Physics
Divisions: Department of > Chemistry
Department of > Physics
Depositing User: Users 19 not found.
Date Deposited: 13 Jun 2019 05:36
Last Modified: 21 Jun 2022 09:54

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