Information card for entry 7231594

Structure parameters

• Chemical name: co-crystal of naproxen and 4,4'-azopyridine
• Formula: C38 H36 N4 O6
• Calculated formula: C38 H36 N4 O6
• Title of publication: Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown
• Authors of publication: Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 41
• Pages of publication: 6377
• a: 15.483 ± 0.007 Å
• b: 5.745 ± 0.002 Å
• c: 19.668 ± 0.008 Å
• α: 90°
• β: 110.025 ± 0.008°
• γ: 90°
• Cell volume: 1643.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No