Information card for entry 2234844

Structure parameters

• Chemical name: (<i>Z</i>)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C17 H17 N3 O2
• Calculated formula: C17 H17 N3 O2
• SMILES: c1(ccccc1)N1C(=O)/C(C(=N1)C)=C(\NCC)c1ccco1
• Title of publication: (<i>Z</i>)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Li, Li-Nan; Zhang, Wei-Guo; Huang, Shan-Shan; Li, Chuan-Xun; Wang, Shou-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1277
• a: 8.5729 ± 0.0013 Å
• b: 17.555 ± 0.003 Å
• c: 20.427 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3074.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes