Information card for entry 7235092

Structure parameters

• Common name: RS-naproxen L-proline 1:2 cocrystal
• Chemical name: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;tetrakis((2S)-pyrrolidine-2-carboxylic acid)
• Formula: C24 H32 N2 O7
• Calculated formula: C24 H32 N2 O7
• 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: 5.84172 ± 0.00009 Å
• b: 8.98394 ± 0.00013 Å
• c: 45.6816 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2397.45 ± 0.07 ų
• Cell temperature: 407 K
• Ambient diffraction temperature: 407 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor R(I) for significantly intense reflections: 4.228
• Goodness-of-fit parameter for all reflections: 4.12
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.708 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No