Information card for entry 2020783

Structure parameters

• Common name: Naproxen‒picolinamide (1/1)
• Chemical name: (<i>S</i>)-2-(6-Methoxynaphthalen-2-yl)propanoic acid‒\ pyridine-2-carboxamide (1/1)
• Formula: C20 H20 N2 O4
• Calculated formula: C20 H20 N2 O4
• SMILES: O=C(O)[C@H](c1cc2c(cc(OC)cc2)cc1)C.O=C(N)c1ncccc1
• Title of publication: Structure and physicochemical characterization of a naproxen‒picolinamide cocrystal
• Authors of publication: Kerr, Hannah E.; Softley, Lorna K.; Suresh, Kuthuru; Hodgkinson, Paul; Evans, Ivana Radosavljevic
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 168 - 175
• a: 5.3048 ± 0.0005 Å
• b: 31.891 ± 0.003 Å
• c: 10.508 ± 0.001 Å
• α: 90°
• β: 98.184 ± 0.003°
• γ: 90°
• Cell volume: 1759.6 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9443
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes