Information card for entry 2207475

Structure parameters

• Chemical name: 5,5'-Dipropyl-1,1'-bis(2-nitrophenyl)-3,3'-bipyrazole
• Formula: C24 H24 N6 O4
• Calculated formula: C24 H24 N6 O4
• SMILES: n1n(c2ccccc2N(=O)=O)c(CCC)cc1c1nn(c2c(N(=O)=O)cccc2)c(CCC)c1
• Title of publication: 1,1'-Bis(2-nitrophenyl)-5,5'-dipropyl-3,3'-bipyrazole
• Authors of publication: Bouabdallah, Ibrahim; Ramdani, Abdelkrim; Zidane, Ismail; Eddike, Driss; Tillard, Monique; Belin, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4243 - o4245
• a: 7.72 ± 0.001 Å
• b: 16.2 ± 0.002 Å
• c: 18.058 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2258.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes