Information card for entry 7205994

Structure parameters

• Chemical name: Isonicotinamide:suberic acid
• Formula: C14 H20 N2 O5
• Calculated formula: C14 H20 N2 O5
• SMILES: c1cc(ccn1)C(=O)N.C(=O)(CCCCCCC(=O)O)O
• Title of publication: The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9
• Authors of publication: Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 4188
• a: 8.9413 ± 0.0015 Å
• b: 9.5366 ± 0.0013 Å
• c: 10.1347 ± 0.0017 Å
• α: 86.653 ± 0.011°
• β: 66.031 ± 0.007°
• γ: 66.571 ± 0.01°
• Cell volume: 719.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No