Information card for entry 2240449

Structure parameters

• Chemical name: 2-{[(Naphthalen-1-yl)oxy]methyl}-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole
• Formula: C19 H11 F3 N2 O2
• Calculated formula: C19 H11 F3 N2 O2
• SMILES: c1ccc2ccccc2c1OCc1nnc(c2cc(c(cc2F)F)F)o1
• Title of publication: Crystal structure of 2-{[(naphthalen-1-yl)oxy]methyl}-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole
• Authors of publication: Govindhan, Muniyappan; Subramanian, Kathavarayan; Viswanathan, Vijayan; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o190 - o191
• a: 7.4817 ± 0.0005 Å
• b: 7.5928 ± 0.0005 Å
• c: 15.7908 ± 0.001 Å
• α: 78.673 ± 0.003°
• β: 78.404 ± 0.003°
• γ: 65.37 ± 0.003°
• Cell volume: 792.36 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes