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Information card for entry 1519159
Preview
| Coordinates | 1519159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Azathioprine |
|---|---|
| Chemical name | 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine |
| Formula | C9 H7 N7 O2 S |
| Calculated formula | C9 H7 N7 O2 S |
| Title of publication | Crystal structure of 6-[(1-methyl-4-nitroimidazol-5-yl)thio] purine |
| Authors of publication | Acharya, K. R. |
| Journal of publication | Proceedings of the Indian Academy of Sciences - Chemical Sciences |
| Year of publication | 1984 |
| Journal volume | 93 |
| Journal issue | 2 |
| Pages of publication | 183 - 187 |
| a | 4.488 ± 0.002 Å |
| b | 31.886 ± 0.004 Å |
| c | 8.067 ± 0.002 Å |
| α | 90° |
| β | 105.99° |
| γ | 90° |
| Cell volume | 1109.8 ± 0.6 Å3 |
| Cell temperature | 413 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 |
| Diffraction radiation probe | x-ray |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519159.cif |
| 264768 | 2021-05-03 | cif/1/51/91/ Removed the _citation_author_name data item which was accidentally not removed during the previous revision from entry 1519159. |
1519159.cif |
| 264767 | 2021-05-03 | cif/ Removed the _citation_author_name data item from entries 1519159, 4320282 since the same information was provided using the _publ_author_name data item. |
1519159.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519159.cif |
| 135472 | 2015-05-01 | cif/ Adding structures of 1519159 via cif-deposit CGI script. |
1519159.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.