Information card for entry 2209575

Structure parameters

• Chemical name: (Chloromethyl)triethylammonium chloride monohydrate
• Formula: C7 H19 Cl2 N O
• Calculated formula: C7 H19 Cl2 N O
• SMILES: [N+](CC)(CC)(CC)CCl.O.[Cl-]
• Title of publication: (Chloromethyl)triethylammonium chloride monohydrate
• Authors of publication: Haberecht, Monika; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2836 - o2837
• a: 11.1642 ± 0.0008 Å
• b: 7.9798 ± 0.0004 Å
• c: 12.3239 ± 0.0009 Å
• α: 90°
• β: 106.087 ± 0.006°
• γ: 90°
• Cell volume: 1054.92 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes