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Information card for entry 2022741
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| Coordinates | 2022741.cif |
|---|---|
| Structure factors | 2022741.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[3-(Benzo[<i>d</i>]thiazol-2-yl)-6-bromo-2<i>H</i>-chromen-2-ylidene]-4-methylbenzenamine |
|---|---|
| Formula | C23 H15 Br N2 O S |
| Calculated formula | C23 H15 Br N2 O S |
| SMILES | s1c(nc2ccccc12)C1/C(Oc2ccc(Br)cc2C=1)=N/c1ccc(cc1)C |
| Title of publication | Crystal structure of <i>N</i>-[3-(benzo[<i>d</i>]thia-zol-2-yl)-6-bromo-2<i>H</i>-chromen-2-yl-idene]-4-methyl-benzenamine. |
| Authors of publication | Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 5 |
| Pages of publication | 441 - 445 |
| a | 7.34138 ± 0.0001 Å |
| b | 10.672 ± 0.0002 Å |
| c | 12.9247 ± 0.0002 Å |
| α | 104.503 ± 0.0016° |
| β | 90.2462 ± 0.0012° |
| γ | 103.996 ± 0.0014° |
| Cell volume | 948.97 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 0.17 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.27 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284379 (current) | 2023-06-06 | cif/ Updating files of 2022741 Original log message: Adding full bibliography for 2022741.cif. |
2022741.cif 2022741.hkl |
| 282649 | 2023-04-15 | cif/ hkl/ Adding structures of 2022741 via cif-deposit CGI script. |
2022741.cif 2022741.hkl |
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Users of the data should acknowledge the original authors of the
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