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Information card for entry 2240723
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| Coordinates | 2240723.cif |
|---|---|
| Structure factors | 2240723.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[(<i>E</i>)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-4-phenyl-1,3-thiazole |
|---|---|
| Formula | C16 H12 Cl N3 S |
| Calculated formula | C16 H12 Cl N3 S |
| SMILES | Clc1ccccc1/C=N/Nc1scc(n1)c1ccccc1 |
| Title of publication | Crystal structure of 2-[(<i>E</i>)-2-(2-chlorobenzylidene)hydrazin-1-yl]-4-phenyl-1,3-thiazole |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o907 - o908 |
| a | 16.981 ± 0.004 Å |
| b | 8.1081 ± 0.0017 Å |
| c | 41.66 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5736 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240723.cif 2240723.hkl |
| 136882 | 2015-05-18 | cif/ hkl/ Adding structures of 2240723 via cif-deposit CGI script. |
2240723.cif 2240723.hkl |
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.