Information card for entry 2229394

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-{(1<i>S</i>)-1-[(2,4-dihydroxybenzylidene)hydrazinecarbonyl]- 2-hydroxyethyl}carbamate ethanol monosolvate
• Formula: C17 H27 N3 O7
• Calculated formula: C17 H27 N3 O7
• SMILES: OC[C@@H](C(=O)N/N=C/c1ccc(cc1O)O)NC(=O)OC(C)(C)C.CCO
• Title of publication: <i>tert</i>-Butyl <i>N</i>-{(1<i>S</i>)-1-[(2,4-dihydroxybenzylidene)hydrazinecarbonyl]-2-hydroxyethyl}carbamate ethanol monosolvate
• Authors of publication: Pinheiro, Alessandra C.; de Souza, Marcus V. N.; 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: 3
• Pages of publication: o581 - o582
• a: 17.4054 ± 0.0004 Å
• b: 8.7266 ± 0.0002 Å
• c: 15.0105 ± 0.0004 Å
• α: 90°
• β: 122.219 ± 0.002°
• γ: 90°
• Cell volume: 1928.87 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes