Information card for entry 2005328

Structure parameters

• Formula: C12 H17 N O3
• Calculated formula: C12 H17 N O3
• SMILES: CC(=O)ON(C(C)C)Cc1ccccc1O
• Title of publication: <i>O</i>-Acetyl-<i>N</i>-(<i>o</i>-hydroxybenzyl)-<i>N</i>-isopropylhydroxylamine
• Authors of publication: Hussain, M. S.; Ul-Haque, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2343 - 2345
• a: 6.93 ± 0.004 Å
• b: 9.597 ± 0.006 Å
• c: 10.169 ± 0.007 Å
• α: 80.1 ± 0.03°
• β: 89.94 ± 0.06°
• γ: 73.22 ± 0.02°
• Cell volume: 637 ± 0.7 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No