Information card for entry 2009327

Structure parameters

• Formula: C6 H8 Cl N
• Calculated formula: C6 H8 Cl N
• SMILES: [Cl-].[nH+]1cc(C)ccc1
• 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: 7.396 ± 0.001 Å
• b: 15.277 ± 0.003 Å
• c: 12.336 ± 0.002 Å
• α: 90°
• β: 91.23 ± 0.02°
• γ: 90°
• Cell volume: 1393.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.185
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes