Information card for entry 8104843

Structure parameters

• Common name: <i>N</i>-(2-chloroethyl)-<i>N,N</i>-diethylammonium chloride
• Chemical name: <i>N</i>-(2-chloroethyl)-<i>N,N</i>-diethylammonium chloride
• Formula: C6 H15 Cl2 N
• Calculated formula: C6 H15 Cl2 N
• Title of publication: The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
• Authors of publication: Muller, Kina; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 397 - 399
• a: 6.9579 ± 0.0004 Å
• b: 8.1852 ± 0.0005 Å
• c: 8.7912 ± 0.0005 Å
• α: 66.606 ± 0.002°
• β: 86.105 ± 0.003°
• γ: 89.834 ± 0.002°
• Cell volume: 458.3 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No