Information card for entry 7229421

Structure parameters

• Formula: C16 H17 N O6
• Calculated formula: C16 H17 N O6
• SMILES: C(=O)(N)c1ccccc1OCC.O=C(O)c1cc(ccc1O)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: 8.0456 ± 0.0003 Å
• b: 9.1098 ± 0.0004 Å
• c: 22.6193 ± 0.0009 Å
• α: 94.2433 ± 0.0016°
• β: 91.5013 ± 0.0017°
• γ: 113.843 ± 0.0016°
• Cell volume: 1509.35 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No