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Information card for entry 2312054
Preview
Coordinates | 2312054.cif |
---|---|
Structure factors | 2312054.hkl |
Original paper (by DOI) | HTML |
Chemical name | 2,3-Diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazine-1,1,4-trione |
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Formula | C20 H15 N O3 S |
Calculated formula | C20 H15 N O3 S |
Title of publication | Crystal structures of the sulfones of 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-1,3-benzo-thia-zin-4-one and 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thia-zin-4-one. |
Authors of publication | Yennawar, Hemant P.; Mal, Tapas K.; Pacheco, Carlos N.; Lagalante, Anthony F.; Olsen, Mark A.; Russell, Michael W.; Muench, Grace C.; Moyer, Quentin J.; Silverberg, Lee J. |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2023 |
Journal volume | 79 |
Journal issue | Pt 3 |
Pages of publication | 221 - 225 |
a | 6.853 ± 0.0006 Å |
b | 25.7472 ± 0.0015 Å |
c | 19.024 ± 0.0012 Å |
α | 90° |
β | 97.394 ± 0.007° |
γ | 90° |
Cell volume | 3328.8 ± 0.4 Å3 |
Cell temperature | 173 ± 0.1 K |
Ambient diffraction temperature | 173 ± 0.1 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 | 0.1275 |
Residual factor for significantly intense reflections | 0.0916 |
Weighted residual factors for significantly intense reflections | 0.2487 |
Weighted residual factors for all reflections included in the refinement | 0.2997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2312054.html
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