Information card for entry 2239222

Structure parameters

• Chemical name: 6,6'-Dinitro-1,1'-(ethane-1,2-diyl)di(1<i>H</i>-indazole)
• Formula: C16 H12 N6 O4
• Calculated formula: C16 H12 N6 O4
• SMILES: O=N(=O)c1ccc2c(n(nc2)CCn2ncc3ccc(N(=O)=O)cc23)c1
• Title of publication: 6,6'-Dinitro-1,1'-(ethane-1,2-diyl)di(1<i>H</i>-indazole)
• Authors of publication: Kouakou, Assoman; Rakib, El Mostapha; El Malki, Abdelghani; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o390
• a: 9.41 ± 0.005 Å
• b: 12.064 ± 0.005 Å
• c: 14.804 ± 0.004 Å
• α: 90°
• β: 109.01 ± 0.02°
• γ: 90°
• Cell volume: 1588.9 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes