Information card for entry 1513336

Structure parameters

• Common name: Thalidomide; N-(2,6-dioxo-3-piperidyl)phalimide
• Chemical name: rac-2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione
• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• SMILES: c12c(cccc1)C(=O)N(C2=O)C1C(=O)NC(=O)CC1
• Title of publication: Polymorphism of N-(2,6-dioxo-3-piperidyl)pthalimide (thalidomide): Structural characterization of a second monoclinic racemic modification
• Authors of publication: Caira, M. R.; Botha, S. A.; Flanagan, D. R.
• Journal of publication: Journal of Chemical Crystallography
• Year of publication: 1994
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 95 - 99
• a: 20.679 ± 0.005 Å
• b: 8.042 ± 0.002 Å
• c: 14.162 ± 0.005 Å
• α: 90°
• β: 102.86 ± 0.03°
• γ: 90°
• Cell volume: 2296.1 ± 1.2 ų
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.051
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No