Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557712
Preview
| Coordinates | 1557712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Duplicate of | 1557711 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
1557712.cif |
| 257927 | 2020-10-06 | cif/ Updating files of 1557711, 1557712 Original log message: Adding full bibliography for 1557711--1557712.cif. |
1557712.cif |
| 253993 | 2020-07-06 | cif/ Updating files of 1557711, 1557712 Original log message: Adding full bibliography for 1557711--1557712.cif. |
1557712.cif |
| 249957 | 2020-04-02 | cif/ Adding structures of 1557711, 1557712 via cif-deposit CGI script. |
1557712.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.