Information card for entry 7214357

Structure parameters

• Common name: 1:1 pico:sal
• Formula: C13 H12 N2 O4
• Calculated formula: C13 H12 N2 O4
• SMILES: n1ccccc1C(=O)N.Oc1ccccc1C(=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: 13.595 ± 0.005 Å
• b: 3.71 ± 0.002 Å
• c: 24.063 ± 0.009 Å
• α: 90°
• β: 100.08 ± 0.018°
• γ: 90°
• Cell volume: 1194.9 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No