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Information card for entry 2019849
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| Coordinates | 2019849.cif |
|---|---|
| Structure factors | 2019849.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-2-(1-Benzyl-2-oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazine-1-carbothioamide |
|---|---|
| Formula | C22 H18 N4 O S |
| Calculated formula | C22 H18 N4 O S |
| SMILES | c1ccccc1CN1c2ccccc2C(=N\NC(=S)Nc2ccccc2)\C1=O |
| Title of publication | Crystal structure of (Z)-2-(1-benzyl-2-oxoindolin-3-ylidene)-N-phenylhydrazine-1-carbothioamide |
| Authors of publication | Vimala, G.; Haribabu, J.; Karvembu, R.; Kumar, B. V. N. Phani; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o160 |
| a | 11.2426 ± 0.0003 Å |
| b | 11.4899 ± 0.0003 Å |
| c | 30.372 ± 0.0009 Å |
| α | 79.121 ± 0.001° |
| β | 88.628 ± 0.002° |
| γ | 81.85 ± 0.001° |
| Cell volume | 3813.91 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.167 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019849.cif 2019849.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019849.cif 2019849.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019849.cif 2019849.hkl |
| 131557 | 2015-02-08 | cif/ hkl/ Adding structures of 2019849 via cif-deposit CGI script. |
2019849.cif 2019849.hkl |
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Users of the data should acknowledge the original authors of the
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