Information card for entry 2230683

Structure parameters

• Chemical name: Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2- chlorobenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate
• Formula: C18 H18 Cl N3 O4
• Calculated formula: C18 H18 Cl N3 O4
• SMILES: Clc1c(cccc1)/C=N/NC(=O)[C@@H](NC(=O)OCc1ccccc1)CO
• Title of publication: Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2-chlorobenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)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: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1868 - o1869
• a: 4.6804 ± 0.0004 Å
• b: 5.6037 ± 0.0007 Å
• c: 16.946 ± 0.002 Å
• α: 95.669 ± 0.006°
• β: 95.886 ± 0.007°
• γ: 94.467 ± 0.006°
• Cell volume: 438.2 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes