Information card for entry 2234214

Structure parameters

• Chemical name: Diisopropylammonium nitrite
• Formula: C6 H16 N2 O2
• Calculated formula: C6 H16 N2 O2
• SMILES: [NH2+](C(C)C)C(C)C.[O-]N=O
• Title of publication: Diisopropylammonium nitrite
• Authors of publication: Wang, Ying-Chun; Jie, Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o986
• a: 8.2314 ± 0.0016 Å
• b: 7.7466 ± 0.0015 Å
• c: 14.583 ± 0.003 Å
• α: 90°
• β: 94.16 ± 0.03°
• γ: 90°
• Cell volume: 927.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes