Information card for entry 7229422

Structure parameters

• Formula: C16 H16 N O6
• Calculated formula: C16 H16 N O6
• SMILES: C(Oc1ccccc1C(=O)N)C.O=C(c1ccc(O)c(O)c1)O
• Title of publication: Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments
• Authors of publication: Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 15.72 ± 0.005 Å
• b: 4.0408 ± 0.0012 Å
• c: 23.577 ± 0.007 Å
• α: 90°
• β: 92.55 ± 0.02°
• γ: 90°
• Cell volume: 1496.2 ± 0.8 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: 0.1648
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No