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Information card for entry 7224493
Preview
| Coordinates | 7224493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1-pyrenyl thiourea |
|---|---|
| Formula | C17 H12 N2 S |
| Calculated formula | C17 H12 N2 S |
| Title of publication | Synthesis of monosubstituted thioureas by vapour digestion and mechanochemical amination of thiocarbamoyl benzotriazoles |
| Authors of publication | Đud, Mateja; Magdysyuk, Oxana V.; Margetić, Davor; Štrukil, Vjekoslav |
| Journal of publication | Green Chem. |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 2666 |
| a | 12.247 ± 0.009 Å |
| b | 13.34 ± 0.02 Å |
| c | 8.315 ± 0.008 Å |
| α | 90° |
| β | 77.29 ± 0.05° |
| γ | 90° |
| Cell volume | 1325 ± 3 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Diffraction radiation wavelength | 0.23307 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224493.cif |
| 182765 | 2016-05-06 | cif/ Updating files of 7224493, 7224494 Original log message: Adding full bibliography for 7224493--7224494.cif. |
7224493.cif |
| 177274 | 2016-03-04 | cif/ Adding structures of 7224493 via cif-deposit CGI script. |
7224493.cif |
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