Information card for entry 2004460

Structure parameters

• Common name: N-acetyl-N,O-di(propylcarbamoyl)hydroxylamine
• Chemical name: N-[(propylamino)carbonyl]-N-{[(propylamino)carbonyl]oxy}-acetamide.
• Formula: C10 H19 N3 O4
• Calculated formula: C10 H19 N3 O4
• SMILES: CC(=O)N(OC(=O)NCCC)C(=O)NCCC
• Title of publication: The Ribonucleotide Reductase R1 Inhibitor <i>N</i>-Acetyl-<i>N</i>,<i>O</i>-di(propylcarbamoyl)hydroxylamine, an Analogue of Caracemide
• Authors of publication: B. B. Nielsen; K. Frydenvang; I. K. Larsen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 387 - 390
• a: 4.944 ± 0.002 Å
• b: 13.005 ± 0.002 Å
• c: 20.234 ± 0.003 Å
• α: 85.07 ± 0.01°
• β: 89.71 ± 0.02°
• γ: 79.45 ± 0.02°
• Cell volume: 1274.2 ± 0.6 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 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 all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections: 0.1958
• Weighted residual factors for significantly intense reflections: 0.1755
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No