Information card for entry 2240818

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-{(<i>E</i>)-1-[2-(4-cyanobenzylidene)-1-methylhydrazinyl]-3-hydroxy-1-oxopropan-2-yl}carbamate
• Formula: C17 H22 N4 O4
• Calculated formula: C17 H22 N4 O4
• SMILES: c1cc(ccc1/C=N/N(C)C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C#N
• Title of publication: Different hydrogen-bonded chains in the crystal structures of three alkyl <i>N</i>-[(<i>E</i>)-1-(2-benzylidene-1-methylhydrazinyl)-3-hydroxy-1-oxopropan-2-yl]carbamates
• Authors of publication: Noguiera, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: 752 - 756
• a: 5.348 ± 0.003 Å
• b: 7.883 ± 0.005 Å
• c: 20.903 ± 0.014 Å
• α: 90°
• β: 92.763 ± 0.001°
• γ: 90°
• Cell volume: 880.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes