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Information card for entry 2237783
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| Coordinates | 2237783.cif |
|---|---|
| Structure factors | 2237783.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-[4-(Dimethylamino)benzylidene]-4-<i>o</i>-tolylthiosemicarbazide |
|---|---|
| Formula | C17 H20 N4 S |
| Calculated formula | C17 H20 N4 S |
| SMILES | S=C(Nc1ccccc1C)N/N=C/c1ccc(cc1)N(C)C |
| Title of publication | 1-[4-(Dimethylamino)benzylidene]-4-<i>o</i>-tolylthiosemicarbazide |
| Authors of publication | Huang, Rui-Yun; Xu, Qin-Juan; Lin, Li-Rong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o906 - o907 |
| a | 9.172 ± 0.003 Å |
| b | 12.224 ± 0.004 Å |
| c | 15.563 ± 0.005 Å |
| α | 86.933 ± 0.006° |
| β | 86.99 ± 0.007° |
| γ | 70.382 ± 0.006° |
| Cell volume | 1640.2 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1027 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.1548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (current) | 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 2/23/77. |
2237783.cif 2237783.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. |
2237783.cif 2237783.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237783.cif 2237783.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237783.cif 2237783.hkl |
| 86447 | 2013-07-11 | cif/ Adding structures of 2237783 via cif-deposit CGI script. |
2237783.cif |
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Users of the data should acknowledge the original authors of the
structural data.