Information card for entry 2017359

Structure parameters

• Common name: Lenalidomide hemihydrate
• Chemical name: (<i>RS</i>)-3-(4-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione hemihydrate
• Formula: C13 H14 N3 O3.5
• Calculated formula: C13 H14 N3 O3.5
• SMILES: C1(=O)CCC(C(=O)N1)N1Cc2c(cccc2C1=O)N.O
• Title of publication: Lenalidomide, an antineoplastic drug, and its hemihydrate
• Authors of publication: Ravikumar, Krishnan; Sridhar, Balasubramanian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o502 - o505
• a: 8.4425 ± 0.0007 Å
• b: 22.2874 ± 0.0019 Å
• c: 13.6627 ± 0.0012 Å
• α: 90°
• β: 101.069 ± 0.001°
• γ: 90°
• Cell volume: 2523 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes