Information card for entry 7246710

Structure parameters

• Formula: C24 H28 N2 O6
• Calculated formula: C24 H28 N2 O6
• SMILES: O=C(N)c1c(OCC)cccc1.NC(=O)c1c(OCC)cccc1.Oc1c(O)cccc1
• Title of publication: Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals
• Authors of publication: Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 3150 - 3163
• a: 7.7814 ± 0.0012 Å
• b: 10.0144 ± 0.0012 Å
• c: 15.979 ± 0.002 Å
• α: 87.193 ± 0.007°
• β: 77.808 ± 0.007°
• γ: 69.864 ± 0.007°
• Cell volume: 1142.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No