Information card for entry 2004624

Structure parameters

• Chemical name: N-n-ethyl-N,N-dimethylammonio acetic acid bromide
• Formula: C6 H14 Br N O2
• Calculated formula: C6 H14 Br N O2
• Title of publication: <i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide
• Authors of publication: Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 648 - 652
• a: 12.108 ± 0.007 Å
• b: 7.277 ± 0.003 Å
• c: 10.835 ± 0.009 Å
• α: 90°
• β: 107.58 ± 0.05°
• γ: 90°
• Cell volume: 910.1 ± 1 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.354
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No