Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide

Naveen, S. and Pavithra, G. and Abdoh, M. and Ajay Kumar, K. and Warad, I. and Lokanath, N. K. (2015) Crystal structure of 3-(thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide. Acta Crystallographica Section E-Crystallographic Communications, 71 (7). 763+. ISSN 2056-9890

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In the title compound, C15H15N3S2, the central pyrazole ring adopts a twisted conformation on the -CH-CH2-bond. Its mean plane makes dihedral angles of 7.19 (12) and 71.13 (11)degrees with those of the thiophene and toluene rings, respectively. The carbothiamide group C(=S)-N] is inclined to the pyrazole ring mean plane by 16.8 (2)degrees. In the crystal, molecules are linked by N-H center dot center dot center dot S hydrogen bonds, forming chains propagating along 010]. Within the chains, there are N-H center dot center dot center dot pi interactions present. Between the chains there are weak parallel slipped pi-pi interactions involving inversion-related thiophene and pyrazole rings inter-centroid distance = 3.7516 (14) angstrom; inter-planar distance = 3.5987 (10) angstrom; slippage = 1.06 angstrom].

Item Type: Article
Uncontrolled Keywords: crystal structure; pyrazole; thiophene; carbothioamide; C-H center dot center dot center dot S hydrogen bonds; N-H center dot center dot center dot pi interactions; pi-pi interactions
Subjects: C Chemical Science > Chemistry
D Physical Science > Physics
Divisions: Department of > Institution of Excellence
Department of > Physics
Yuvaraj college > Chemistry
Depositing User: Users 19 not found.
Date Deposited: 03 Jun 2019 06:17
Last Modified: 18 Jul 2022 07:04

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