Information card for entry 2010614

Structure parameters

• Common name: 2,2-dimethyl-1-picrylhydrazine
• Chemical name: 2,2-dimethyl-1-(2,4,6-trinitro)phenylhydrazine
• Formula: C8 H9 N5 O6
• Calculated formula: C8 H9 N5 O6
• SMILES: c1(c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)NN(C)C
• Title of publication: 2,2-Dimethyl-1-(2,4,6-trinitrophenyl)hydrazine
• Authors of publication: Quail, J. Wilson; Weil, John A.; Singh, Malvinder P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 235 - 236
• a: 6.5156 ± 0.0007 Å
• b: 8.2006 ± 0.0011 Å
• c: 20.6704 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1104.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes