Information card for entry 2230685

Structure parameters

• Chemical name: Benzyl <i>N</i>-(2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-2- hydroxybenzylidene]hydrazinecarbonyl}ethyl)carbamate
• Formula: C18 H19 N3 O5
• Calculated formula: C18 H19 N3 O5
• SMILES: Oc1c(cccc1)/C=N/NC(=O)[C@@H](NC(=O)OCc1ccccc1)CO
• Title of publication: Benzyl <i>N</i>-(2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-2-hydroxybenzylidene]hydrazinecarbonyl}ethyl)carbamate
• Authors of publication: Tiekink, Edward R. T.; de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Wardell, Solange M. S. V.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1866 - o1867
• a: 5.0338 ± 0.0005 Å
• b: 31.357 ± 0.003 Å
• c: 5.5882 ± 0.0006 Å
• α: 90°
• β: 97.89 ± 0.003°
• γ: 90°
• Cell volume: 873.72 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes