Information card for entry 1566718

Structure parameters

• Chemical name: (<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one
• Formula: C21 H18 N2 O
• Calculated formula: C21 H18 N2 O
• Title of publication: (<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one
• Authors of publication: Meenatchi, C. Selva; Athimoolam, S.; Suresh, J.; Priya, R. Vishnu; Rubina, S. Raja; Bhandari, S. R.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 3
• Pages of publication: x220283
• a: 30.3989 ± 0.0015 Å
• b: 8.7177 ± 0.0005 Å
• c: 14.0581 ± 0.0007 Å
• α: 90°
• β: 115.367 ± 0.002°
• γ: 90°
• Cell volume: 3366.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes