Information card for entry 4506724

Structure parameters

• Chemical name: Oxi34dhBA
• Formula: C13 H16 N2 O7
• Calculated formula: C13 H16 N2 O7
• SMILES: C(=O)(CN1C[C@H](CC1=O)O)N.C(=O)(c1cc(c(cc1)O)O)O
• Title of publication: Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals
• Authors of publication: Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4562
• a: 22.2113 ± 0.0006 Å
• b: 6.0673 ± 0.0002 Å
• c: 11.2292 ± 0.0003 Å
• α: 90°
• β: 112.595 ± 0.003°
• γ: 90°
• Cell volume: 1397.12 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No