Information card for entry 2311282

Structure parameters

• Common name: 3-(Thiophen-2-yl)-5-<i>p</i>-tolyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide
• Chemical name: 5-(4-Methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide
• Formula: C15 H15 N3 S2
• Calculated formula: C15 H15 N3 S2
• SMILES: s1cccc1C1=NN(C(C1)c1ccc(cc1)C)C(=S)N
• Title of publication: Crystal structure of 3-(thio-phen-2-yl)-5-p-tolyl-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.
• Authors of publication: Naveen, S.; Pavithra, G.; Abdoh, Muneer; Ajay Kumar, K.; Warad, Ismail; Lokanath, N. K.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 7
• Pages of publication: 763 - 765
• a: 8.1035 ± 0.0004 Å
• b: 12.0193 ± 0.0005 Å
• c: 15.1312 ± 0.0007 Å
• α: 90°
• β: 94.347 ± 0.002°
• γ: 90°
• Cell volume: 1469.52 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No