Information card for entry 5000131

Structure parameters

• Formula: C5 H6 N4 O S
• Calculated formula: C5 H6 N4 O S
• Title of publication: The crystal and molecular structure of 6-mercaptopurine monohydrate
• Authors of publication: Sletten, E.; Sletten, J.; Jensen, L. H.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1969
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1330 - 1338
• a: 15.294 ± 0.002 Å
• b: 7.732 ± 0.001 Å
• c: 12.379 ± 0.001 Å
• α: 90°
• β: 101.64 ± 0.01°
• γ: 90°
• Cell volume: 1433.75 ų
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No