Information card for entry 7214700

Structure parameters

• Common name: 1:1 ethenzamide and salicylic acid cocrystal
• Chemical name: cocrystal of ethenzamide with salicylic acid
• Formula: C16 H17 N O5
• Calculated formula: C16 H17 N O5
• SMILES: O=C(N)c1ccccc1OCC.O=C(O)c1ccccc1O
• 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: 10.679 ± 0.002 Å
• b: 9.667 ± 0.0019 Å
• c: 14.845 ± 0.003 Å
• α: 90°
• β: 106.97 ± 0.03°
• γ: 90°
• Cell volume: 1465.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No