Information card for entry 2211511

Structure parameters

• Chemical name: methyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate
• Formula: C14 H18 Cl N O2
• Calculated formula: C14 H18 Cl N O2
• SMILES: Clc1ccc(cc1)[C@H]1CCN(C[C@H]1C(=O)OC)C.Clc1ccc(cc1)[C@@H]1CCN(C[C@@H]1C(=O)OC)C
• Title of publication: Methyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate
• Authors of publication: Hua-Xing Zhang; Cheng-Cai Luo; Wen-Na Zhao; Lei Han
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5598 - o5599
• a: 5.4546 ± 0.0011 Å
• b: 10.238 ± 0.002 Å
• c: 13.615 ± 0.003 Å
• α: 69.01 ± 0.03°
• β: 84.09 ± 0.03°
• γ: 83.24 ± 0.03°
• Cell volume: 703.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes