Information card for entry 2210034

Structure parameters

• Chemical name: 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl 2,3-dimethylpiperidin-1-yl ketone
• Formula: C19 H25 Cl2 N O2
• Calculated formula: C19 H25 Cl2 N O2
• SMILES: ClC1(Cl)[C@](C1)(C(=O)N1[C@H]([C@H](CCC1)C)C)c1ccc(OCC)cc1.ClC1(Cl)[C@@](C1)(C(=O)N1[C@@H]([C@@H](CCC1)C)C)c1ccc(OCC)cc1
• Title of publication: 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl 2,3-dimethylpiperidin-1-yl ketone
• Authors of publication: Na-Bo Sun; Cheng-Xia Tan; Jian-Quan Weng; De-Long Shen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3486 - o3487
• a: 11.662 ± 0.005 Å
• b: 16.242 ± 0.008 Å
• c: 11.398 ± 0.005 Å
• α: 90°
• β: 115.078 ± 0.019°
• γ: 90°
• Cell volume: 1955.4 ± 1.6 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes