Information card for entry 7216870

Structure parameters

• Common name: [CH3(CH2)3C(NH2)2][NO3]
• Formula: C5 H13 N3 O3
• Calculated formula: C5 H13 N3 O3
• SMILES: NC(=[NH2+])CCCC.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: 6.4391 ± 0.0002 Å
• b: 6.7648 ± 0.0002 Å
• c: 10.527 ± 0.004 Å
• α: 73.655 ± 0.002°
• β: 81.477 ± 0.002°
• γ: 82.105 ± 0.002°
• Cell volume: 432.94 ± 0.17 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: 0.0393
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No