Information card for entry 2230118

Structure parameters

• Chemical name: 1-(2,3-Dimethoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine
• Formula: C15 H14 N4 O6
• Calculated formula: C15 H14 N4 O6
• SMILES: N(N=Cc1c(OC)c(OC)ccc1)c1c(N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: 1-(2,3-Dimethoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine
• Authors of publication: Xin, Xianrong; Li, Min; Chen, Zhimin; Zhu, Ruitao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1169
• a: 7.8409 ± 0.0008 Å
• b: 7.92 ± 0.0009 Å
• c: 13.8961 ± 0.0014 Å
• α: 85.038 ± 0.002°
• β: 82.773 ± 0.001°
• γ: 65.894 ± 0.001°
• Cell volume: 780.84 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes