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Information card for entry 1557711
Preview
| Coordinates | 1557711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MPTA |
|---|---|
| Chemical name | 5-(2-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine |
| Formula | C15 H13 N3 O S |
| Calculated formula | C15 H13 N3 O S |
| SMILES | s1c(nnc1Nc1ccccc1)c1c(OC)cccc1 |
| Title of publication | The origin of the longer wavelength emission in 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole and its analogue 2-phenylamino-5-(2-hydroxybenzono)-1,3,4-thiadiazole. |
| Authors of publication | Ila, ?; Dani, Reshmi; Verma, Surya Pratap; Krishnamoorthy, G. |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2020 |
| Journal volume | 19 |
| Journal issue | 6 |
| Pages of publication | 844 - 853 |
| a | 19.0137 ± 0.0009 Å |
| b | 7.3113 ± 0.0004 Å |
| c | 20.1679 ± 0.0009 Å |
| α | 90° |
| β | 95.594 ± 0.004° |
| γ | 90° |
| Cell volume | 2790.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257927 (current) | 2020-10-06 | cif/ Updating files of 1557711, 1557712 Original log message: Adding full bibliography for 1557711--1557712.cif. |
1557711.cif |
| 253993 | 2020-07-06 | cif/ Updating files of 1557711, 1557712 Original log message: Adding full bibliography for 1557711--1557712.cif. |
1557711.cif |
| 249957 | 2020-04-02 | cif/ Adding structures of 1557711, 1557712 via cif-deposit CGI script. |
1557711.cif |
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Users of the data should acknowledge the original authors of the
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