Information card for entry 2225517

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-[(<i>S</i>)-1-hydrazinecarbonyl-2-hydroxyethyl]carbamate
• Formula: C8 H17 N3 O4
• Calculated formula: C8 H17 N3 O4
• SMILES: O=C(NN)[C@@H](NC(=O)OC(C)(C)C)CO
• Title of publication: <i>tert</i>-Butyl <i>N</i>-[(<i>S</i>)-1-hydrazinecarbonyl-2-hydroxyethyl]carbamate
• Authors of publication: Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o994
• a: 6.9274 ± 0.0005 Å
• b: 5.0074 ± 0.0004 Å
• c: 16.2388 ± 0.0015 Å
• α: 90°
• β: 94.483 ± 0.005°
• γ: 90°
• Cell volume: 561.57 ± 0.08 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: 0.068
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes