Information card for entry 7214365

Structure parameters

• Common name: 1:1 pico:mal
• Formula: C9 H10 N2 O5
• Calculated formula: C9 H10 N2 O5
• SMILES: n1ccccc1C(=O)N.O=C(CC(=O)O)O
• 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: 5.166 ± 0.001 Å
• b: 7.666 ± 0.002 Å
• c: 13.086 ± 0.003 Å
• α: 74.73 ± 0.011°
• β: 81.423 ± 0.012°
• γ: 77.409 ± 0.013°
• Cell volume: 485.6 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No