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Information card for entry 2239999
Preview
| Coordinates | 2239999.cif |
|---|---|
| Structure factors | 2239999.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-((1<i>E</i>)-1-{(2<i>Z</i>)-2-[4-(4-Bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)phenol hemihydrate |
|---|---|
| Formula | C23 H19 Br N3 O1.5 S |
| Calculated formula | C23 H19 Br N3 O1.5 S |
| Title of publication | Crystal structure of 4-((1<i>E</i>)-1-{(2<i>Z</i>)-2-[4-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)phenol hemihydrate |
| Authors of publication | Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | o1124 - o1125 |
| a | 8.485 ± 0.002 Å |
| b | 10.336 ± 0.002 Å |
| c | 12.057 ± 0.003 Å |
| α | 80.515 ± 0.003° |
| β | 88.008 ± 0.003° |
| γ | 86.249 ± 0.004° |
| Cell volume | 1040.4 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0693 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181899 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/99. |
2239999.cif 2239999.hkl |
| 181318 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/99. |
2239999.cif 2239999.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239999.cif 2239999.hkl |
| 124343 | 2014-09-28 | cif/ hkl/ Adding structures of 2239999 via cif-deposit CGI script. |
2239999.cif 2239999.hkl |
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Users of the data should acknowledge the original authors of the
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