Information card for entry 7232499

Structure parameters

• Common name: Sebacic acid: isonicotinamide 1:2 cocrystal
• Formula: C22 H30 N4 O6
• Calculated formula: C22 H30 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: 7.38 ± 0.03 Å
• b: 8.39 ± 0.03 Å
• c: 9.02 ± 0.03 Å
• α: 92.46 ± 0.05°
• β: 96.65 ± 0.04°
• γ: 91.65 ± 0.04°
• Cell volume: 554 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1648
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No