Information card for entry 2216173

Structure parameters

• Chemical name: (E)-1,3-Benzodioxole-5-carbaldehyde 4-nitrophenylhydrazone
• Formula: C14 H11 N3 O4
• Calculated formula: C14 H11 N3 O4
• SMILES: c1cc2c(cc1/C=N/Nc1ccc(cc1)N(=O)=O)OCO2
• Title of publication: (<i>E</i>)-1,3-Benzodioxole-5-carbaldehyde 4-nitrophenylhydrazone
• Authors of publication: Yin, Zhi-Gang; Qian, Heng-Yu; Hu Jie; Feng Yu-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4406 - o4406
• a: 23.719 ± 0.003 Å
• b: 4.9052 ± 0.0018 Å
• c: 12.353 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1437.2 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes