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Information card for entry 2019956
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| Coordinates | 2019956.cif |
|---|---|
| Structure factors | 2019956.hkl |
| Original IUCr paper | HTML |
| Common name | 2-(<i>p</i>-tolyl)-4<i>H</i>-benzo[<i>e</i>][1,3]thiazine |
|---|---|
| Chemical name | 2-(4-Methylphenyl)-4<i>H</i>-1,3-benzothiazine |
| Formula | C15 H13 N S |
| Calculated formula | C15 H13 N S |
| SMILES | S1c2c(CN=C1c1ccc(cc1)C)cccc2 |
| Title of publication | Crystal structure of 2-(4-methylphenyl)-4H-1,3-benzothiazine |
| Authors of publication | Sandhya, N. C.; Chandra,; Suresha, G. P.; Lokanath, N. K.; Mahendra, M. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o74 |
| a | 15.1241 ± 0.0009 Å |
| b | 6.0111 ± 0.0004 Å |
| c | 14.3212 ± 0.0009 Å |
| α | 90° |
| β | 110.268 ± 0.002° |
| γ | 90° |
| Cell volume | 1221.36 ± 0.13 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019956.cif 2019956.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2019956.cif 2019956.hkl |
| 136866 | 2015-05-18 | cif/ hkl/ Adding structures of 2019956 via cif-deposit CGI script. |
2019956.cif 2019956.hkl |
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Users of the data should acknowledge the original authors of the
structural data.