Information card for entry 7235104

Structure parameters

• Common name: RS-naproxen L-proline 1:1 cocrystal, polymorph III
• Chemical name: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate), polymorph III
• Formula: C38 H46 N2 O10
• Calculated formula: C38 H46 N2 O10
• 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: 12.705 ± 0.002 Å
• b: 5.7631 ± 0.0008 Å
• c: 25 ± 0.005 Å
• α: 90°
• β: 95.041 ± 0.011°
• γ: 90°
• Cell volume: 1823.4 ± 0.5 ų
• Cell temperature: 402 K
• Ambient diffraction temperature: 402 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 R(I) for significantly intense reflections: 7.117
• Goodness-of-fit parameter for all reflections: 62.48
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.78487 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No