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Information card for entry 2206970
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| Coordinates | 2206970.cif |
|---|---|
| Structure factors | 2206970.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[(Z)-(1-Naphthyl)methylene]benzimidazo[2,1-b]thiazol-3(2H)-one |
|---|---|
| Formula | C20 H12 N2 O S |
| Calculated formula | C20 H12 N2 O S |
| SMILES | c12ccccc1nc1n2C(=O)/C(=C/c2cccc3ccccc23)S1 |
| Title of publication | 2-[(<i>Z</i>)-(1-Naphthyl)methylene]benzimidazo[2,1-<i>b</i>]thiazol-3(2<i>H</i>)-one |
| Authors of publication | Liang, Zu-Pei; Li, Jian; Li, Gao-Ning; Cao, Chang-Qing; Wang, Guang-Jian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3166 - o3167 |
| a | 6.8627 ± 0.0016 Å |
| b | 7.9031 ± 0.0019 Å |
| c | 27.01 ± 0.006 Å |
| α | 90° |
| β | 95.406 ± 0.004° |
| γ | 90° |
| Cell volume | 1458.4 ± 0.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.1088 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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