Information card for entry 2211607

Structure parameters

• Chemical name: 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl piperidin-1-yl ketone
• Formula: C17 H21 Cl2 N O2
• Calculated formula: C17 H21 Cl2 N O2
• SMILES: ClC1(Cl)C(C1)(C(=O)N1CCCCC1)c1ccc(OCC)cc1
• Title of publication: 2,2-Dichloro-1-(4-ethoxyphenyl)cyclopropanyl piperidin-1-yl ketone
• Authors of publication: Na-Bo Sun; De-Long Shen; Ren-Hua Zheng; Cheng-Xia Tan; Jian-Quan Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5679 - o5680
• a: 6.0819 ± 0.0019 Å
• b: 15.592 ± 0.006 Å
• c: 18 ± 0.007 Å
• α: 90°
• β: 91.087 ± 0.014°
• γ: 90°
• Cell volume: 1706.6 ± 1.1 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes