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Information card for entry 1545305
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| Coordinates | 1545305.cif |
|---|---|
| Structure factors | 1545305.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride |
|---|---|
| Formula | C16 H8 Cl4 N2 |
| Calculated formula | C16 H8 Cl4 N2 |
| SMILES | Clc1c(C(=N\c2ccc(Cl)cc2)\Cl)cnc2c1cc(Cl)cc2 |
| Title of publication | (<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride |
| Authors of publication | Weil, Matthias; Siebert, David Chan Bodin; Schnürch, Michael |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | x170274 |
| a | 9.2595 ± 0.0014 Å |
| b | 9.9204 ± 0.0015 Å |
| c | 10.1731 ± 0.0015 Å |
| α | 64.259 ± 0.004° |
| β | 72.322 ± 0.005° |
| γ | 64.093 ± 0.004° |
| Cell volume | 749.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0315 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192432 (current) | 2017-02-22 | cif/ hkl/ Adding structures of 1545305 via cif-deposit CGI script. |
1545305.cif 1545305.hkl |
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Users of the data should acknowledge the original authors of the
structural data.