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Information card for entry 2239018
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| Coordinates | 2239018.cif |
|---|---|
| Structure factors | 2239018.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-Phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide |
|---|---|
| Formula | C17 H17 N3 S |
| Calculated formula | C17 H17 N3 S |
| SMILES | S=C(Nc1ccccc1)N/N=C1\CCCc2c1cccc2 |
| Title of publication | <i>N</i>-Phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide |
| Authors of publication | de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o205 |
| a | 8.4415 ± 0.0003 Å |
| b | 18.0256 ± 0.0007 Å |
| c | 10.026 ± 0.0003 Å |
| α | 90° |
| β | 107.495 ± 0.002° |
| γ | 90° |
| Cell volume | 1455.02 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0454 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239018.cif 2239018.hkl |
| 181309 | 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 2/23/90. |
2239018.cif 2239018.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. |
2239018.cif 2239018.hkl |
| 104850 | 2014-03-11 | cif/ hkl/ Adding structures of 2239018 via cif-deposit CGI script. |
2239018.cif 2239018.hkl |
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