Information card for entry 2214833

Structure parameters

• Common name: diethylmethyleneammonium chloride
• Chemical name: diethylmethyleniminium chloride
• Formula: C5 H12 Cl N
• Calculated formula: C5 H12 Cl N
• SMILES: [Cl-].CC[N+](CC)=C
• Title of publication: Diethylmethyleniminium chloride
• Authors of publication: Boeré, René T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3581 - o3581
• a: 6.6023 ± 0.0004 Å
• b: 15.7426 ± 0.001 Å
• c: 7.0057 ± 0.0004 Å
• α: 90°
• β: 106.021 ± 0.001°
• γ: 90°
• Cell volume: 699.87 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0219
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes