Information card for entry 8105806

Structure parameters

• Chemical name: 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3,5-dinitrophenyl)diazene 1-oxide
• Formula: C12 H4 Cl2 N6 O9
• Calculated formula: C12 H4 Cl2 N6 O9
• SMILES: c1(c(cc(cc1N(=O)=O)N(=Nc1c(cc(cc1N(=O)=O)Cl)N(=O)=O)=O)N(=O)=O)Cl
• Title of publication: The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3,5-dinitrophenyl)diazene 1-oxide, C12H4Cl2N6O9
• Authors of publication: Cao, Junyan; Wang, Jianlong; Li, Min; Zhang, Ke; Li, Shuai; Wan, Zhen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 641 - 643
• a: 50.136 ± 0.003 Å
• b: 8.1074 ± 0.0005 Å
• c: 15.9816 ± 0.0011 Å
• α: 90°
• β: 91.927 ± 0.002°
• γ: 90°
• Cell volume: 6492.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No