Information card for entry 7209756

Structure parameters

• Common name: L-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
• 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: 13.122 ± 0.002 Å
• b: 5.898 ± 0.001 Å
• c: 24.075 ± 0.003 Å
• α: 90°
• β: 95.56 ± 0.005°
• γ: 90°
• Cell volume: 1854.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.05
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No