Information card for entry 2210480

Structure parameters

• Chemical name: 4-(2,3-Dichlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
• Formula: C18 H15 Cl2 N3 O
• Calculated formula: C18 H15 Cl2 N3 O
• SMILES: Clc1c(/C=N/C2C(=O)N(N(C=2C)C)c2ccccc2)cccc1Cl
• Title of publication: 4-(2,3-Dichlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Sun, Yu-Xi; Zhang, Ran; Wang, Bao-Lin; Ding, De-Jun; Liu, Shu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4613 - o4615
• a: 18.9602 ± 0.0008 Å
• b: 7.1044 ± 0.0003 Å
• c: 51.387 ± 0.002 Å
• α: 90°
• β: 96.529 ± 0.001°
• γ: 90°
• Cell volume: 6877 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0753
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes