Information card for entry 1519159

Structure parameters

• 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 ų
• 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