Information card for entry 7216868

Structure parameters

• Common name: [CH3CH2C(NH2)2][NO3]
• Formula: C3 H9 N3 O3
• Calculated formula: C3 H9 N3 O3
• SMILES: NC(=[NH2+])CC.N(=O)(=O)[O-]
• Title of publication: Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system
• Authors of publication: Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1569
• a: 6.5627 ± 0.0002 Å
• b: 6.6924 ± 0.0002 Å
• c: 8.2274 ± 0.0003 Å
• α: 72.83 ± 0.002°
• β: 87.467 ± 0.002°
• γ: 82.367 ± 0.002°
• Cell volume: 342.18 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No