Information card for entry 2228366

Structure parameters

• Chemical name: Benzyl <i>N</i>-[(<i>S</i>)-2-hydroxy-1-({[(<i>E</i>)-2-hydroxy- 4-methoxybenzylidene]hydrazinyl}carbonyl)ethyl]carbamate
• Formula: C19 H21 N3 O6
• Calculated formula: C19 H21 N3 O6
• SMILES: Oc1c(ccc(OC)c1)/C=N/NC(=O)[C@@H](NC(=O)OCc1ccccc1)CO
• Title of publication: Benzyl <i>N</i>-[(<i>S</i>)-2-hydroxy-1-({[(<i>E</i>)-2-hydroxy-4-methoxybenzylidene]hydrazinyl}carbonyl)ethyl]carbamate
• Authors of publication: de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3253 - o3254
• a: 5.1634 ± 0.0002 Å
• b: 32.3173 ± 0.0011 Å
• c: 5.703 ± 0.0002 Å
• α: 90°
• β: 103.918 ± 0.002°
• γ: 90°
• Cell volume: 923.7 ± 0.06 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: 0.037
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes