Information card for entry 2227387

Structure parameters

• Chemical name: Methyl 2-methoxy-4-{[2-(4-nitrophenyl)hydrazinylidene]methyl}benzoate
• Formula: C16 H15 N3 O5
• Calculated formula: C16 H15 N3 O5
• SMILES: O=N(=O)c1ccc(N/N=C/c2cc(OC)c(OC(=O)C)cc2)cc1
• Title of publication: Methyl 2-methoxy-4-{[2-(4-nitrophenyl)hydrazinylidene]methyl}benzoate
• Authors of publication: Zhao, Zhen-xin; Li, He-ping; Ma, Bu-wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2661
• a: 8.5983 ± 0.0007 Å
• b: 14.6982 ± 0.0009 Å
• c: 13.2096 ± 0.001 Å
• α: 90°
• β: 107.86 ± 0.009°
• γ: 90°
• Cell volume: 1589 ± 0.2 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: 0.1123
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes