Information card for entry 2311200

Structure parameters

• Chemical name: 5-Methyl-1,3-diphenyl-<i>N</i>-(5-phenyl-1,3,4-thiadiazol-2-yl)-1<i>H</i>-pyrazole-4-carboxamide
• Formula: C25 H19 N5 O S
• Calculated formula: C25 H19 N5 O S
• SMILES: s1c(NC(=O)c2c(nn(c2C)c2ccccc2)c2ccccc2)nnc1c1ccccc1
• Title of publication: 5-Methyl-1,3-diphenyl-N-(5-phenyl-1,3,4-thia-diazol-2-yl)-1H-pyrazole-4-carboxamide.
• Authors of publication: Chandra, ?; Mahesh, S. S.; Srikantamurthy, N.; Umesha, K. B.; Palani, K.; Mahendra, M.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 12
• Pages of publication: o1736
• a: 10.7039 ± 0.0014 Å
• b: 12.9341 ± 0.0017 Å
• c: 17.478 ± 0.002 Å
• α: 77.343 ± 0.002°
• β: 82.865 ± 0.002°
• γ: 70.373 ± 0.002°
• Cell volume: 2220.4 ± 0.5 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No