Information card for entry 2220699

Structure parameters

• Common name: 1-Amino cyclohexane carboxilic acid hydrochloride
• Chemical name: 1-carboxycyclohexan-1-aminium chloride
• Formula: C7 H14 Cl N O2
• Calculated formula: C7 H14 Cl N O2
• SMILES: C1(CCCCC1)(C(=O)O)[NH3+].[Cl-]
• Title of publication: Redetermination of 1-carboxycyclohexan-1-aminium chloride
• Authors of publication: Belandria, Lusbely M.; Delgado, Gerzon E.; Mora, Asiloé J.; Seijas, Luis E.; González, Teresa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o245
• a: 7.382 ± 0.003 Å
• b: 6.357 ± 0.002 Å
• c: 9.374 ± 0.003 Å
• α: 90°
• β: 96.239 ± 0.01°
• γ: 90°
• Cell volume: 437.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes