Information card for entry 7111483

Structure parameters

• Common name: 1:1 co-crystal of 2-oxo-1-pyrrolidinyl)acetamide and 2,5- dihydroxybenzoic acid'
• Chemical name: 1:1 co-crystal of 2-oxo-1-pyrrolidinyl)acetamide and 2,5-dihydroxybenzoic acid'
• Formula: C13 H16 N2 O6
• Calculated formula: C13 H16 N2 O6
• SMILES: O=C1N(CCC1)CC(=O)N.Oc1c(cc(O)cc1)C(=O)O
• 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: 27.896 ± 0.003 Å
• b: 5.1762 ± 0.0005 Å
• c: 19.7879 ± 0.0018 Å
• α: 90°
• β: 101.09 ± 0.002°
• γ: 90°
• Cell volume: 2803.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No