Information card for entry 2227284

Structure parameters

• Chemical name: <i>N</i>-[(<i>Z</i>)-4-methoxybenzylidene](methoxycarbonyl)methanamine oxide
• Formula: C11 H13 N O4
• Calculated formula: C11 H13 N O4
• SMILES: c1(ccc(cc1)OC)/C=N(/CC(=O)OC)=O
• Title of publication: <i>N</i>-[(<i>Z</i>)-4-Methoxybenzylidene](methoxycarbonyl)methanamine oxide
• Authors of publication: Keleşoğlu, Zeynep; Gültekin, Zeynep; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2332 - o2333
• a: 4.3808 ± 0.0003 Å
• b: 9.8207 ± 0.0007 Å
• c: 25.778 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1109.03 ± 0.13 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.05
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes