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Information card for entry 1550027
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| Coordinates | 1550027.cif |
|---|---|
| Structure factors | 1550027.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate |
|---|---|
| Formula | C21.5 H20.5 Br N6.5 O0.5 S |
| Calculated formula | C21.5 H20.5 Br N6.5 O0.5 S |
| SMILES | c1(ccc(cc1)N/N=C1/C(C)=N/C(=N/N=C(C)/c2c[nH]c3c2cccc3)S1)Br.C(=O)N(C)C |
| Title of publication | 5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate |
| Authors of publication | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | x181378 |
| a | 9.9957 ± 0.0006 Å |
| b | 14.5325 ± 0.0009 Å |
| c | 15.8353 ± 0.001 Å |
| α | 81.671 ± 0.005° |
| β | 81.344 ± 0.005° |
| γ | 80.469 ± 0.005° |
| Cell volume | 2225.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1383 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214153 (current) | 2019-03-18 | cif/1 Fixing Z values and formulae |
1550027.cif 1550027.hkl |
| 211392 | 2018-10-11 | cif/ hkl/ Adding structures of 1550027 via cif-deposit CGI script. |
1550027.cif 1550027.hkl |
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Users of the data should acknowledge the original authors of the
structural data.