Information card for entry 7231588

Structure parameters

• Chemical name: co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethylene
• Formula: C21 H20 N2 O2
• Calculated formula: C21 H20 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: 7.8199 ± 0.0014 Å
• b: 8.6152 ± 0.0015 Å
• c: 12.9 ± 0.002 Å
• α: 98.216 ± 0.002°
• β: 99.515 ± 0.002°
• γ: 90.024 ± 0.002°
• Cell volume: 848.1 ± 0.2 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: 0.0561
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No