Information card for entry 2206996

Structure parameters

• Formula: C18 H15 Cl2 N3 O
• Calculated formula: C18 H15 Cl2 N3 O
• SMILES: Clc1c(ccc(Cl)c1)/C=N/C1=C(C)N(N(C1=O)c1ccccc1)C
• Title of publication: 4-[(2,4-Dichlorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one
• Authors of publication: Jing, Zuo-Liang; Yu, Ming; Chen, Xin; Deng, Qi-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3359 - o3360
• a: 9.4236 ± 0.0007 Å
• b: 7.3711 ± 0.0005 Å
• c: 24.5011 ± 0.0018 Å
• α: 90°
• β: 99.693 ± 0.001°
• γ: 90°
• Cell volume: 1677.6 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No