Information card for entry 2207250

Structure parameters

• Chemical name: 2,4-Dichloro-6-(piperidin-1-ylmethyl)phenol
• Formula: C12 H15 Cl2 N O
• Calculated formula: C12 H15 Cl2 N O
• SMILES: Clc1c(O)c(cc(Cl)c1)CN1CCCCC1
• Title of publication: 2,4-Dichloro-6-(piperidin-1-ylmethyl)phenol
• Authors of publication: Kubono, Koji; Oshima, Syunichi; Hirayama, Naoki; Yokoi, Kunihiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3706 - o3708
• a: 9.571 ± 0.004 Å
• b: 11.794 ± 0.004 Å
• c: 11.345 ± 0.005 Å
• α: 90°
• β: 95.89 ± 0.03°
• γ: 90°
• Cell volume: 1273.9 ± 0.9 ų
• Cell temperature: 298.1 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 significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes