{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["71(Pt 7)"],"submitter":["Naveen S"],"pubmed_abstract":["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 thio-phene and toluene rings, respectively. The carbothi-amide group [C(=S)-N] is inclined to the pyrazole ring mean plane by 16.8 (2)°. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds, forming chains propagating along [010]. Within the chains, there are N-H⋯π inter-actions present. Between the chains there are weak parallel slipped π-π inter-actions involving inversion-related thio-phene and pyrazole rings [inter-centroid distance = 3.7516 (14) Å; inter-planar distance = 3.5987 (10) Å; slippage = 1.06 Å]."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["763-5"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4518985"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of 3-(thio-phen-2-yl)-5-p-tolyl-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide."],"pmcid":["PMC4518985"],"pubmed_authors":["Lokanath NK","Pavithra G","Ajay Kumar K","Naveen S","Abdoh M","Warad I"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of 3-(thio-phen-2-yl)-5-p-tolyl-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.","description":"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 thio-phene and toluene rings, respectively. The carbothi-amide group [C(=S)-N] is inclined to the pyrazole ring mean plane by 16.8 (2)°. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds, forming chains propagating along [010]. Within the chains, there are N-H⋯π inter-actions present. Between the chains there are weak parallel slipped π-π inter-actions involving inversion-related thio-phene and pyrazole rings [inter-centroid distance = 3.7516 (14) Å; inter-planar distance = 3.5987 (10) Å; slippage = 1.06 Å].","dates":{"release":"2015-01-01T00:00:00Z","publication":"2015 Jul","modification":"2024-11-05T23:41:26.681Z","creation":"2019-03-27T01:56:00Z"},"accession":"S-EPMC4518985","cross_references":{"pubmed":["26279862"],"doi":["10.1107/S2056989015010774"]}}