Information card for entry 2229677

Structure parameters

• Chemical name: 3,4-Dimethyl-1-phenylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one
• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: o1c2n(nc(c2c(cc1=O)C)C)c1ccccc1
• Title of publication: 3,4-Dimethyl-1-phenylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one
• Authors of publication: Ahmad, Neman; Tahir, M. Nawaz; Khan, Misbahul Ain; Ather, Abdul Qayyum; Khan, Muhammad Naeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o1021
• a: 15.1231 ± 0.0009 Å
• b: 13.3558 ± 0.0008 Å
• c: 13.8684 ± 0.0008 Å
• α: 90°
• β: 120.965 ± 0.002°
• γ: 90°
• Cell volume: 2401.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes