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Information card for entry 2241162
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| Coordinates | 2241162.cif |
|---|---|
| Structure factors | 2241162.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[(2-(Hydroxyimino)-1-phenylpropylidene]-<i>N</i>-phenyl]hydrazinecarbothioamide |
|---|---|
| Formula | C16 H16 N4 O S |
| Calculated formula | C16 H16 N4 O S |
| SMILES | S=C(Nc1ccccc1)N/N=C(/C(=N/O)C)\c1ccccc1 |
| Title of publication | Crystal structure of 2-[(2-(hydroxyimino)-1-phenylpropylidene]-<i>N</i>-phenyl]hydrazinecarbothioamide |
| Authors of publication | Anderson, Brian J.; Freedman, Michael B.; Millikan, Sean P.; Smolenski, Victoria A.; Jasinski, Jerry P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o796 - o797 |
| a | 5.4955 ± 0.0006 Å |
| b | 27.973 ± 0.002 Å |
| c | 10.4175 ± 0.0009 Å |
| α | 90° |
| β | 92.444 ± 0.009° |
| γ | 90° |
| Cell volume | 1600 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.1817 |
| 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 |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241162.cif 2241162.hkl |
| 158430 | 2015-09-27 | cif/ hkl/ Adding structures of 2241162 via cif-deposit CGI script. |
2241162.cif 2241162.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.