Information card for entry 7119160

Structure parameters

• Chemical name: piracetam gallic acid
• Formula: C13 H16 N2 O7
• Calculated formula: C13 H16 N2 O7
• SMILES: Oc1c(O)c(O)cc(c1)C(=O)O.O=C1N(CCC1)CC(=O)N
• Title of publication: Selective preparation of elusive and alternative single component polymorphic solid forms through multi-component crystallisation routes
• Authors of publication: Lynne H. Thomas; Craig Wales; Chick C. Wilson
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7372
• a: 12.554 ± 0.002 Å
• b: 8.8499 ± 0.0015 Å
• c: 12.6253 ± 0.0017 Å
• α: 90°
• β: 103.988 ± 0.005°
• γ: 90°
• Cell volume: 1361.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1209
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No