Information card for entry 7249210

Structure parameters

• Common name: Azathioprine
• Chemical name: Azathioprine
• Formula: C9 H7 N7 O2 S
• Calculated formula: C9 H7 N7 O2 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: 10.3738 ± 0.0007 Å
• b: 8.305 ± 0.0005 Å
• c: 13.8405 ± 0.0009 Å
• α: 90°
• β: 103.676 ± 0.002°
• γ: 90°
• Cell volume: 1158.61 ± 0.13 ų
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No