Information card for entry 7209755

Structure parameters

• Common name: DL-Prolinium cocrystal of RS-Naproxen
• Chemical name: Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)
• Formula: C19 H25 N O6
• Calculated formula: C19 H25 N O6
• SMILES: C(=O)(C1CCC[NH2+]1)[O-].C(=O)(C(C)c1cc2c(cc1)cc(cc2)OC)O.O
• Title of publication: On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals
• Authors of publication: Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 3341
• a: 6.1054 ± 0.0002 Å
• b: 12.475 ± 0.0005 Å
• c: 49.1664 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3744.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No