Information card for entry 2218316

Structure parameters

• Chemical name: 1,5-Dimethyl-4-[(5-methyl-2-furyl)methyleneamino]-2-phenyl-1<i>H</i>-pyrazol- 3(2<i>H</i>)-one
• Formula: C17 H17 N3 O2
• Calculated formula: C17 H17 N3 O2
• SMILES: o1c(ccc1/C=N/C1=C(N(N(C1=O)c1ccccc1)C)C)C
• Title of publication: 1,5-Dimethyl-4-[(5-methyl-2-furyl)methyleneamino]-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Guo, Yaning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1170
• a: 11.811 ± 0.007 Å
• b: 9.997 ± 0.006 Å
• c: 14.116 ± 0.009 Å
• α: 90°
• β: 110.963 ± 0.009°
• γ: 90°
• Cell volume: 1556.4 ± 1.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes