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Information card for entry 1549871
Preview
| Coordinates | 1549871.cif |
|---|---|
| Structure factors | 1549871.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one |
|---|---|
| Formula | C18 H13 Cl2 N O2 |
| Calculated formula | C18 H13 Cl2 N O2 |
| SMILES | Clc1cc(N/C=C2\C(=O)OC(=C2)c2ccc(cc2)C)cc(Cl)c1 |
| Title of publication | (<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one |
| Authors of publication | Grinev, Vyacheslav S.; Osipov, Alexander K.; Yegorova, Alevtina Yu. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 8 |
| Pages of publication | x181224 |
| a | 7.4005 ± 0.0008 Å |
| b | 10.4272 ± 0.0011 Å |
| c | 10.5704 ± 0.0011 Å |
| α | 86.076 ± 0.002° |
| β | 72.382 ± 0.002° |
| γ | 81.325 ± 0.002° |
| Cell volume | 768.3 ± 0.14 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210294 (current) | 2018-09-01 | cif/ hkl/ Adding structures of 1549871 via cif-deposit CGI script. |
1549871.cif 1549871.hkl |
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Users of the data should acknowledge the original authors of the
structural data.