Information card for entry 4312452

Structure parameters

• Formula: C6 H11 N O2
• Calculated formula: C6 H11 N O2
• SMILES: C(=O)(CC)NC(=O)CC
• Title of publication: Facile Ni(II)/Ketoxime-Mediated Conversion of Organonitriles into Imidoylamidine Ligands. Synthesis of Imidoylamidines and Acetyl Amides
• Authors of publication: Maximilian N. Kopylovich; Armando J. L. Pombeiro; Andreas Fischer; Lars Kloo; Vadim Yu. Kukushkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7239 - 7248
• a: 15.998 ± 0.002 Å
• b: 5.1479 ± 0.0006 Å
• c: 8.821 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 726.46 ± 0.14 ų
• Cell temperature: 297 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No