Information card for entry 2208987

Structure parameters

• Common name: Benzyl-N,N'-diethylamonium chloride
• Chemical name: Benzyldiethylammonium chloride
• Formula: C11 H18 Cl N
• Calculated formula: C11 H18 Cl N
• SMILES: C(c1ccccc1)[NH+](CC)CC.[Cl-]
• Title of publication: Benzyldiethylammonium chloride
• Authors of publication: Daniel Lorono-Gonzalez
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1735 - o1737
• a: 20.366 ± 0.003 Å
• b: 7.0174 ± 0.0009 Å
• c: 8.0292 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes