Information card for entry 7235103

Structure parameters

• Common name: RS-naproxen DL-proline 1:1 cocrystal, polymorph I
• Chemical name: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylatepolymorph I
• Formula: C19 H23 N O5
• Calculated formula: C19 H23 N O5
• Title of publication: Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals
• Authors of publication: Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 45
• Pages of publication: 7308
• a: 9.9964 ± 0.0003 Å
• b: 9.0958 ± 0.0004 Å
• c: 39.9654 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3633.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No