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

Acta Crystallographica Section E: Crystallographic Communications

Ismail Warad¹  K. Ajay Kumar²  G. Pavithra²  Muneer Abdoh³  N. K. Lokanath⁴  S. Naveen⁵ 

[1] Department of Chemistry, Science College, An-Najah National University, PO Box 7, Nablus, Palestinian Territories;Department of Chemistry, Yuvaraja's College, University of Mysore, Mysore 570 006, India;Department of Physics, Science College, An-Najah National University, PO Box 7, Nablus, Palestinian Territories;Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India;Institution of Excellence, University of Mysore, Manasagangotri, Mysore 570 006, India;

关键词: crystal structure;    pyrazole;    thiophene;    carbothioamide;    C—H...S hydrogen bonds;    N—H...π interactions;    π–π interactions;   

DOI  :  10.1107/S2056989015010774

来源: DOAJ

【 摘 要 】

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)° 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)°. In the crystal, molecules are linked by N—H...S hydrogen bonds, forming chains propagating along [010]. Within the chains, there are N—H...π interactions present. Between the chains there are weak parallel slipped π–π interactions involving inversion-related thiophene and pyrazole rings [inter-centroid distance = 3.7516 (14) Å; inter-planar distance = 3.5987 (10) Å; slippage = 1.06 Å].

【 授权许可】

Unknown