Information card for entry 2228909

Structure parameters

• Common name: 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline
• Chemical name: 1-[5-(Anthracen-9-yl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone
• Formula: C25 H20 N2 O
• Calculated formula: C25 H20 N2 O
• SMILES: N1(N=C(CC1c1c2c(cc3ccccc13)cccc2)c1ccccc1)C(=O)C
• Title of publication: 1-[5-(Anthracen-9-yl)-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone
• Authors of publication: Wang, Ming-Liang; Dong, Bao-Li; Li, Yong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o94
• a: 8.7102 ± 0.0017 Å
• b: 16.251 ± 0.003 Å
• c: 13.309 ± 0.003 Å
• α: 90°
• β: 91.49 ± 0.03°
• γ: 90°
• Cell volume: 1883.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes