Information card for entry 7208005

Structure parameters

• Common name: Naproxen sodium mono salt DMF solvate
• Formula: C17 H20 N Na O4
• Calculated formula: C17 H20 N Na O4
• SMILES: [Na+].O=C([O-])[C@H](c1cc2c(cc(OC)cc2)cc1)C.O=CN(C)C
• Title of publication: Design and synthesis of solid state structures with conjugate acid‒base pair interactions
• Authors of publication: Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3851
• a: 8.5777 ± 0.0012 Å
• b: 5.8968 ± 0.0008 Å
• c: 16.506 ± 0.002 Å
• α: 90°
• β: 92.35 ± 0.002°
• γ: 90°
• Cell volume: 834.19 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No