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Information card for entry 1543420
Preview
| Coordinates | 1543420.cif |
|---|---|
| Structure factors | 1543420.hkl |
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183359 (current) | 2016-06-11 | cif/ hkl/ Adding structures of 1543420 via cif-deposit CGI script. |
1543420.cif 1543420.hkl |
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Users of the data should acknowledge the original authors of the
structural data.