Information card for entry 7214359

Structure parameters

• Common name: 2:1 pico:fum
• Formula: C8 H8 N2 O3
• Calculated formula: C8 H8 N2 O3
• Title of publication: Can picolinamide be a promising cocrystal former?
• Authors of publication: Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 4365
• a: 8.479 ± 0.003 Å
• b: 4.979 ± 0.002 Å
• c: 19.167 ± 0.007 Å
• α: 90°
• β: 90.083 ± 0.018°
• γ: 90°
• Cell volume: 809.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No