Information card for entry 7207675

Structure parameters

• Common name: Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)
• Chemical name: Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)
• Formula: C13 H18 N2 O6
• Calculated formula: C13 H18 N2 O6
• SMILES: OC(=O)c1ccc(O)cc1.O=C1N(CC(=O)N)CCC1.O
• Title of publication: Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1 : 1 co-crystals
• Authors of publication: Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2381
• a: 6.4211 ± 0.0013 Å
• b: 6.6058 ± 0.0013 Å
• c: 16.59 ± 0.003 Å
• α: 96.2 ± 0.03°
• β: 96.76 ± 0.03°
• γ: 90.86 ± 0.03°
• Cell volume: 694.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No