Information card for entry 8102723

Structure parameters

• Chemical name: (<i>Z</i>)-1-(2,4-dinitrophenyl)-2-(3-methyl-2- nitrocyclohex-2-enylidene)hydrazine, C~13~H~13~N~5~O~6~
• Formula: C13 H13 N5 O6
• Calculated formula: C13 H13 N5 O6
• SMILES: N(Nc1ccc(N(=O)=O)cc1N(=O)=O)=C1C(N(=O)=O)=C(CCC1)C
• Title of publication: Crystal structure of (Z)-1-(2,4-dinitrophenyl)-2-(3-methyl-2-nitrocyclohex-2-enylidene)hydrazine, C13H13N5O6
• Authors of publication: Hai-Yun Zhu; Ya-Ning Guo; De-Suo Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 359
• a: 14.501 ± 0.002 Å
• b: 6.362 ± 0.001 Å
• c: 17.166 ± 0.002 Å
• α: 90°
• β: 110.913 ± 0.009°
• γ: 90°
• Cell volume: 1479.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No