Information card for entry 7205992

Structure parameters

• Chemical name: Isonicotinamide:azelaic acid
• Formula: C15 H22 N2 O5
• Calculated formula: C15 H22 N2 O5
• SMILES: c1cc(ccn1)C(=O)N.C(=O)(CCCCCCCC(=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: 8.2118 ± 0.0011 Å
• b: 5.068 ± 0.0007 Å
• c: 38.683 ± 0.005 Å
• α: 90°
• β: 93.264 ± 0.006°
• γ: 90°
• Cell volume: 1607.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No