Information card for entry 7231589

Structure parameters

• Chemical name: co-crystal of mefenamic acid and 1,3-Bis(4-pyridyl)propane
• Formula: C28 H29 N3 O2
• Calculated formula: C28 H29 N3 O2
• 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: 7.503 ± 0.003 Å
• b: 7.836 ± 0.003 Å
• c: 20.382 ± 0.007 Å
• α: 88.77 ± 0.09°
• β: 85.38 ± 0.05°
• γ: 79.99 ± 0.05°
• Cell volume: 1176.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No