Information card for entry 2213190

Structure parameters

• Chemical name: trans 2-hydroxycyclopentan-2-aminium chloride
• Formula: C5 H12 Cl N O
• Calculated formula: C5 H12 Cl N O
• SMILES: [Cl-].O[C@@H]1[C@@H]([NH3+])CCC1.[Cl-].O[C@H]1[C@H]([NH3+])CCC1
• Title of publication: <i>trans</i>-1-Hydroxycyclopentan-2-aminium chloride
• Authors of publication: Zheng, Heping; Gawlicka-Chruszcz, Anna; Cymborowski, Marcin; Minor, Wladek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2697 - o2698
• a: 10.13 ± 0.001 Å
• b: 8.736 ± 0.001 Å
• c: 7.657 ± 0.001 Å
• α: 90°
• β: 98.68 ± 0.01°
• γ: 90°
• Cell volume: 669.85 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0374
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes