Information card for entry 1543420

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide
• Formula: C20 H18 Cl4 N2 O2
• Calculated formula: C20 H18 Cl4 N2 O2
• SMILES: c1(cc(ccc1C(=O)N1CCC(CC1)CNC(=O)c1ccc(cc1Cl)Cl)Cl)Cl
• Title of publication: 2,4-Dichloro-<i>N</i>-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide
• Authors of publication: Gomathi, S.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160919
• a: 8.2338 ± 0.0002 Å
• b: 10.9617 ± 0.0002 Å
• c: 12.2646 ± 0.0003 Å
• α: 76.239 ± 0.001°
• β: 83.571 ± 0.001°
• γ: 80.407 ± 0.001°
• Cell volume: 1057.12 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1545
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes