Information card for entry 2210998

Structure parameters

• Chemical name: 4-(4-fluorophenyl)-3-methyl-1- phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-one
• Formula: C26 H16 F N3 O
• Calculated formula: C26 H16 F N3 O
• SMILES: n1(c2ccccc2)nc(C)c2c(c3ccc(F)cc3)c3C(=O)c4ccccc4c3nc12
• Title of publication: 4-(4-Fluorophenyl)-3-methyl-1-phenylindeno[1,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridin-5(1<i>H</i>)-one: sheets built from C—H···N, C—H···O and C—H···π(arene) hydrogen bonds
• Authors of publication: Cobo, Debora; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5176 - o5178
• a: 8.7566 ± 0.0003 Å
• b: 9.9924 ± 0.0002 Å
• c: 11.91 ± 0.0004 Å
• α: 73.359 ± 0.002°
• β: 78.009 ± 0.002°
• γ: 81.238 ± 0.002°
• Cell volume: 971.88 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.059
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes