Information card for entry 7209753

Structure parameters

• Common name: L-Prolinium cocrystal of S-Naproxen
• Chemical name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - S-pyrrolidinium-2-carboxylate (1:1)
• Formula: C19 H23 N O5
• Calculated formula: C19 H23 N O5
• SMILES: C1CC[C@@H](C(=O)[O-])[NH2+]1.c1(cc2ccc(cc2cc1)OC)[C@@H](C(=O)O)C
• 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: 5.6999 ± 0.0002 Å
• b: 6.5428 ± 0.0003 Å
• c: 23.1874 ± 0.001 Å
• α: 90°
• β: 94.835 ± 0.004°
• γ: 90°
• Cell volume: 861.66 ± 0.06 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: 0.0411
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No