Information card for entry 2008664

Structure parameters

• Chemical name: (2-chloroethyl)diisopropylammonium chloride
• Formula: C8 H19 Cl2 N
• Calculated formula: C8 H19 Cl2 N
• SMILES: [Cl-].ClCC[NH+](C(C)C)C(C)C
• Title of publication: (2-Hydroxyethyl)diisopropylammonium chloride and its derivatives
• Authors of publication: Mahmoudkhani, Amir Hossein; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1163 - 1167
• a: 8.9772 ± 0.0002 Å
• b: 8.069 ± 0.0001 Å
• c: 15.3032 ± 0.0002 Å
• α: 90°
• β: 95.937 ± 0.001°
• γ: 90°
• Cell volume: 1102.57 ± 0.03 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.08
• 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: No