Information card for entry 7200295

Structure parameters

• Common name: nicotinamide:azelaic acid 2:1
• Chemical name: nicotinamide:azelaic acid 2:1
• Formula: C15 H22 N2 O5
• Calculated formula: C15 H22 N2 O5
• SMILES: O=C(N)c1cnccc1.O=C(O)CCCCCCCC(=O)O
• Title of publication: Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal
• Authors of publication: Karki, Shyam; Friščić, Tomislav; Jones, William
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 470
• a: 8.6455 ± 0.0001 Å
• b: 36.5695 ± 0.0006 Å
• c: 5.2021 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1644.7 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No