Information card for entry 2210484

Structure parameters

• Chemical name: (E)-1,5-Dimethyl-4-[3-(2-phenoxyethoxy)benzylideneamino]-2-phenyl- 1H-pyrazol-3(2H)-one
• Formula: C26 H25 N3 O3
• Calculated formula: C26 H25 N3 O3
• SMILES: O(c1ccccc1)CCOc1cccc(c1)/C=N/C1C(=O)N(N(C=1C)C)c1ccccc1
• Title of publication: (<i>E</i>)-1,5-Dimethyl-4-[3-(2-phenoxyethoxy)benzylideneamino]-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Diao, Chun-Hua; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4658 - o4659
• a: 11.3949 ± 0.0018 Å
• b: 7.4456 ± 0.0012 Å
• c: 26.791 ± 0.004 Å
• α: 90°
• β: 95.392 ± 0.003°
• γ: 90°
• Cell volume: 2262.9 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.102
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes