Information card for entry 2311625

Structure parameters

• Chemical name: 3-Methyl-1,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole
• Formula: C16 H16 N2
• Calculated formula: C16 H16 N2
• SMILES: N1(N=C(CC1c1ccccc1)C)c1ccccc1
• Title of publication: 3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole.
• Authors of publication: Manjula, M.; Jayaroopa, P.; Manjunath, B. C.; Ajay Kumar, K.; Lokanath, N. K.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 4
• Pages of publication: o602
• a: 18.1224 ± 0.0017 Å
• b: 7.8055 ± 0.0006 Å
• c: 12.5057 ± 0.0013 Å
• α: 90°
• β: 132.207 ± 0.009°
• γ: 90°
• Cell volume: 1310.3 ± 0.3 ų
• Cell temperature: 301 K
• Ambient diffraction temperature: 301 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No