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Information card for entry 2200561
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| Coordinates | 2200561.cif |
|---|---|
| Structure factors | 2200561.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-methyl-2-methyl-3-furanthiocarboxanilyd |
|---|---|
| Formula | C13 H13 N O S |
| Calculated formula | C13 H13 N O S |
| SMILES | c1coc(C)c1C(=S)N(C)c1ccccc1 |
| Title of publication | <i>N</i>,2-Dimethyl-3-furanthiocarboxanilide |
| Authors of publication | Popović, Jasminka; Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | o893 - o894 |
| a | 9.577 ± 0.003 Å |
| b | 16.039 ± 0.003 Å |
| c | 16.127 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2477.2 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1336 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.1667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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