Information card for entry 7111484

Structure parameters

• Common name: 1:1 Co-crystal of 2-Oxo-1-pyrrolidinyl)acetamide and 4- Hydroxybenzoic acid
• Chemical name: 1:1 Co-crystal of 2-Oxo-1-pyrrolidinyl)acetamide and 4-Hydroxybenzoic acid
• Formula: C13 H16 N2 O5
• Calculated formula: C13 H16 N2 O5
• SMILES: O=C(N)CN1C(=O)CCC1.O=C(O)c1ccc(O)cc1
• Title of publication: Crystal engineering of pharmaceutical co-crystals from polymorphic active pharmaceutical ingredients
• Authors of publication: Vishweshwar, Peddy; McMahon, Jennifer A.; Peterson, Matthew L.; Hickey, Magali B.; Shattock, Tanise R.; Zaworotko, Michael J.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 36
• Pages of publication: 4601 - 4603
• a: 14.78 ± 0.003 Å
• b: 5.5029 ± 0.0012 Å
• c: 17.068 ± 0.004 Å
• α: 90°
• β: 109.557 ± 0.004°
• γ: 90°
• Cell volume: 1308.1 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No