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Information card for entry 7249211
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Coordinates | 7249211.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Azathioprine monohydrate |
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Chemical name | Azathioprine monohydrate |
Formula | C9 H7 N7 O3 S |
Calculated formula | C9 H7 N7 O3 S |
Title of publication | Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: Phase transformation, solubility, dissolution and stability study |
Authors of publication | Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
a | 4.5053 ± 0.0003 Å |
b | 25.0747 ± 0.0013 Å |
c | 24.4596 ± 0.0013 Å |
α | 90° |
β | 91.789 ± 0.002° |
γ | 90° |
Cell volume | 2761.8 ± 0.3 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.11 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1855 |
Weighted residual factors for all reflections included in the refinement | 0.2204 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7249211.html
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