Information card for entry 2211437

Structure parameters

• Chemical name: (E)-4-[4-(2,4-Dichlorobenzyloxy)benzylideneamino]-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one
• Formula: C25 H21 Cl2 N3 O2
• Calculated formula: C25 H21 Cl2 N3 O2
• SMILES: Clc1cc(Cl)c(cc1)COc1ccc(cc1)/C=N/C1C(=O)N(N(C=1C)C)c1ccccc1
• Title of publication: (<i>E</i>)-4-[4-(2,4-Dichlorobenzyloxy)benzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Liu, Shou-Xin; Han, Jian-Rong; Zhen, Xiao-Li; Tian, Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5765 - o6766
• a: 16.56 ± 0.004 Å
• b: 6.967 ± 0.0019 Å
• c: 19.771 ± 0.005 Å
• α: 90°
• β: 100.601 ± 0.005°
• γ: 90°
• Cell volume: 2242.1 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.171
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes