Information card for entry 2009326

Structure parameters

• Formula: C6 H8 Cl N
• Calculated formula: C6 H8 Cl N
• Title of publication: Three hydrohalogenides of organic nitrogen bases
• Authors of publication: Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: IUC9900156
• a: 7.8759 ± 0.0002 Å
• b: 13.4002 ± 0.0003 Å
• c: 7.2779 ± 0.0001 Å
• α: 90°
• β: 110.632 ± 0.001°
• γ: 90°
• Cell volume: 718.84 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections: 1.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes