Information card for entry 2228569

Structure parameters

• Chemical name: 1-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: O(C)c1ccc(C2N(N=C(C2)c2ccccc2)C(=O)C)cc1
• Title of publication: 1-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone
• Authors of publication: Abbas, Asghar; Hussain, Safdar; Hafeez, Noureen; Lo, Kong Mun; Hasan, Aurangzeb
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3174
• a: 6.2762 ± 0.0009 Å
• b: 7.2081 ± 0.0009 Å
• c: 18.57 ± 0.002 Å
• α: 85.939 ± 0.009°
• β: 85.384 ± 0.009°
• γ: 64.709 ± 0.008°
• Cell volume: 756.49 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes