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Information card for entry 7708393
Preview
| Coordinates | 7708393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 N2 O2 S |
|---|---|
| Calculated formula | C14 H12 N2 O2 S |
| SMILES | c1(ccccc1)C(=O)NC(=S)Nc1cc(ccc1)O |
| Title of publication | Colorimetric detection of fluoride ion in aqueous medium by thiourea derivatives: a transition metal ion assisted approach |
| Authors of publication | Mahanta, Sanjeev Pran; Choudhury, Diganta; Das, Rituraj; Talukdar, Dhrubajyoti; Sarma, Plaban Jyoti; Kuilya, Hemrupa; Thakuria, Ranjit |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 12.2027 ± 0.001 Å |
| b | 7.3419 ± 0.0006 Å |
| c | 15.7431 ± 0.0013 Å |
| α | 90° |
| β | 112.224 ± 0.002° |
| γ | 90° |
| Cell volume | 1305.66 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0395 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269272 (current) | 2021-09-24 | cif/ Adding structures of 7708392, 7708393 via cif-deposit CGI script. |
7708393.cif |
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