Information card for entry 2214668

Structure parameters

• Chemical name: 5-(4,5-Dimethoxy-2-nitrophenyl)-1,3-diphenyl-2-pyrazoline
• Formula: C23 H21 N3 O4
• Calculated formula: C23 H21 N3 O4
• SMILES: c1c(c(cc(c1OC)OC)C1CC(=NN1c1ccccc1)c1ccccc1)N(=O)=O
• Title of publication: 5-(4,5-Dimethoxy-2-nitrophenyl)-1,3-diphenyl-2-pyrazoline
• Authors of publication: Kumaradhas, P.; David Stephen, A.; Satheesh Rai; Balakrishna Kalluraya; Reji Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3402 - o3402
• a: 36.0919 ± 0.0007 Å
• b: 13.4372 ± 0.0001 Å
• c: 8.819 ± 0.0002 Å
• α: 90°
• β: 104.099 ± 0.001°
• γ: 90°
• Cell volume: 4148.15 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes