Information card for entry 7231593

Structure parameters

• Chemical name: co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethane
• Formula: C21 H21 N2 O2
• Calculated formula: C21 H21 N2 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: 7.45 ± 0.007 Å
• b: 7.835 ± 0.007 Å
• c: 16.895 ± 0.016 Å
• α: 94.3 ± 0.03°
• β: 93.16 ± 0.017°
• γ: 117.89 ± 0.02°
• Cell volume: 864.6 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No