Information card for entry 2200626

Structure parameters

• Formula: C7 H12 Cl3 N O2
• Calculated formula: C7 H12 Cl3 N O2
• SMILES: ClC(Cl)(Cl)C(ON1CCCCC1)O
• Title of publication: Chloral adduct of <i>N</i>-hydroxypiperidine
• Authors of publication: Wolfgang Kliegel; Ulf Riebe; Brian O. Patrick; Steven J. Rettig; James Trotter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1173 - o1174
• a: 10.409 ± 0.001 Å
• b: 11.922 ± 0.002 Å
• c: 10.291 ± 0.001 Å
• α: 109.78 ± 0.01°
• β: 94.96 ± 0.01°
• γ: 110.61 ± 0.01°
• Cell volume: 1093.7 ± 0.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.95
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No