Information card for entry 7214702

Structure parameters

• Common name: 1:1 ethenzamide and vanillic acid cocrystal
• Chemical name: cocrystal of ethenzamide with vanillic acid
• Formula: C17 H19 N O6
• Calculated formula: C17 H19 N O6
• SMILES: Oc1c(OC)cc(C(=O)O)cc1.O(c1c(cccc1)C(=O)N)CC
• Title of publication: Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies
• Authors of publication: Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8515
• a: 13.774 ± 0.003 Å
• b: 14.911 ± 0.003 Å
• c: 8.0828 ± 0.0016 Å
• α: 90°
• β: 102.87 ± 0.03°
• γ: 90°
• Cell volume: 1618.4 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No