Information card for entry 7232498

Structure parameters

• Common name: Azelaic acid_isonicotinamide 1:2 cocrystal
• Formula: C21 H28 N4 O6
• Calculated formula: C21 H28 N4 O6
• Title of publication: Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points
• Authors of publication: Tothadi, Srinu; Phadkule, Amala
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 2481
• a: 7.6025 ± 0.0005 Å
• b: 8.5644 ± 0.0004 Å
• c: 17.657 ± 0.0009 Å
• α: 91.672 ± 0.004°
• β: 95.094 ± 0.005°
• γ: 103.671 ± 0.005°
• Cell volume: 1111.18 ± 0.11 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.1146
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No