Information card for entry 2242297

Structure parameters

• Common name: 7-Azabicyclo[2.2.1]heptane hydrochloride
• Chemical name: 7-Azabicyclo[2.2.1]heptan-7-ium chloride
• Formula: C6 H12 Cl N
• Calculated formula: C6 H12 Cl N
• SMILES: [Cl-].[NH2+]1C2CCC1CC2
• Title of publication: The 7-azanorbornane nucleus of epibatidine: 7-azabicyclo[2.2.1]heptan-7-ium chloride
• Authors of publication: Britvin, Sergey N.; Rumyantsev, Andrey M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1385 - 1388
• a: 9.1532 ± 0.0006 Å
• b: 8.7029 ± 0.0008 Å
• c: 8.7336 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 695.71 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes