Information card for entry 2227150

Structure parameters

• Chemical name: Benzyl <i>N</i>-{(1<i>S</i>)-2-hydroxy-1-[<i>N</i>'-(2- nitrobenzylidene)hydrazinylcarbonyl]ethyl}carbamate
• Formula: C18 H18 N4 O6
• Calculated formula: C18 H18 N4 O6
• SMILES: O(C(=O)N[C@@H](CO)C(=O)N/N=C/c1c(N(=O)=O)cccc1)Cc1ccccc1
• Title of publication: Benzyl <i>N</i>-{(1<i>S</i>)-2-hydroxy-1-[<i>N</i>'-(2-nitrobenzylidene)hydrazinylcarbonyl]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: 8
• Pages of publication: o2023 - o2024
• a: 4.6675 ± 0.0007 Å
• b: 5.7001 ± 0.0007 Å
• c: 16.645 ± 0.003 Å
• α: 90.457 ± 0.009°
• β: 92.087 ± 0.007°
• γ: 97.319 ± 0.009°
• Cell volume: 438.91 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes