Information card for entry 2204994

Structure parameters

• Chemical name: N-Chloromethyl-4-(dimethylamino)-N,N-dimethylanilinium chloride
• Formula: C11 H18 Cl2 N2
• Calculated formula: C11 H18 Cl2 N2
• SMILES: ClC[N+](c1ccc(N(C)C)cc1)(C)C.[Cl-]
• Title of publication: <i>N</i>-Chloromethyl-4-(dimethylamino)-<i>N,N</i>-dimethylanilinium chloride
• Authors of publication: Batsanov, Andrei S.; Collings, Jonathan C.; Marder, Todd B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o201 - o202
• a: 15.121 ± 0.003 Å
• b: 7.234 ± 0.001 Å
• c: 12.773 ± 0.002 Å
• α: 90°
• β: 114.95 ± 0.01°
• γ: 90°
• Cell volume: 1266.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes