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Information card for entry 1557321
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| Coordinates | 1557321.cif |
|---|---|
| Structure factors | 1557321.hkl |
| Original IUCr paper | HTML |
| Common name | 6-Nitro-2,3-bis(thien-2-yl)quinoxaline |
|---|---|
| Chemical name | 6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline |
| Formula | C16 H9 N3 O2 S2 |
| Calculated formula | C16 H9 N3 O2 S2 |
| SMILES | s1c(c2nc3c(nc2c2sccc2)cc(N(=O)=O)cc3)ccc1 |
| Title of publication | 6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline |
| Authors of publication | de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 2 |
| Pages of publication | x200203 |
| a | 11.7649 ± 0.0004 Å |
| b | 5.3386 ± 0.0002 Å |
| c | 24.3536 ± 0.0008 Å |
| α | 90° |
| β | 105.61 ± 0.003° |
| γ | 90° |
| Cell volume | 1473.18 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0994 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1848 |
| Weighted residual factors for all reflections included in the refinement | 0.1988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248212 (current) | 2020-02-15 | cif/ hkl/ Adding structures of 1557321 via cif-deposit CGI script. |
1557321.cif 1557321.hkl |
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Users of the data should acknowledge the original authors of the
structural data.