Information card for entry 2236195

Structure parameters

• Chemical name: (Dimethylphosphoryl)methanaminium chloride
• Formula: C3 H11 Cl N O P
• Calculated formula: C3 H11 Cl N O P
• SMILES: [Cl-].P(=O)(C[NH3+])(C)C
• Title of publication: (Dimethylphosphoryl)methanaminium chloride
• Authors of publication: Reiss, Guido J.; Jörgens, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2899 - o2900
• a: 5.2965 ± 0.0002 Å
• b: 7.703 ± 0.0004 Å
• c: 8.8035 ± 0.0003 Å
• α: 84.057 ± 0.004°
• β: 87.691 ± 0.003°
• γ: 89.016 ± 0.004°
• Cell volume: 356.92 ± 0.03 ų
• Cell temperature: 106 ± 1 K
• Ambient diffraction temperature: 106 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes