Information card for entry 4507583

Structure parameters

• Chemical name: Aceclofenac-cytosine
• Formula: C20 H18 Cl2 N4 O5
• Calculated formula: C20 H18 Cl2 N4 O5
• SMILES: Clc1c(Nc2ccccc2CC(=O)OCC(=O)[O-])c(Cl)ccc1.[nH]1c(=O)[nH+]c(cc1)N
• Title of publication: Solubility and Stability Advantage of Aceclofenac Salts
• Authors of publication: Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1590
• a: 11.296 ± 0.001 Å
• b: 8.7429 ± 0.0008 Å
• c: 20.8507 ± 0.0019 Å
• α: 90°
• β: 98.012 ± 0.001°
• γ: 90°
• Cell volume: 2039.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No