Information card for entry 7226813

Structure parameters

• Chemical name: CPAM
• Formula: C15 H11 Br F N O3
• Calculated formula: C15 H11 Br F N O3
• SMILES: c1cc(c(cc1/C=C/C(=O)Nc1c(cc(cc1)F)Br)O)O
• Title of publication: N-(2-Bromo-4-fluorophenyl)-3-(3,4-dihydroxyphenyl)-acrylamide (CPAM) a small catecholic amide as antioxidant, anti diabetic and antibacterial compound
• Authors of publication: Misra, Kaushik; Nag, Ahindra; Sonwane, Avinash
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.5029 ± 0.0009 Å
• b: 4.7911 ± 0.0007 Å
• c: 43.18 ± 0.006 Å
• α: 90°
• β: 90.145 ± 0.004°
• γ: 90°
• Cell volume: 1345.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No