Information card for entry 2240493

Structure parameters

• Chemical name: 2-(4-Fluoro-3-methylphenyl)-5-{[(naphthalen-1-yl)oxy]methyl}-1,3,4-oxadiazole
• Formula: C20 H15 F N2 O2
• Calculated formula: C20 H15 F N2 O2
• SMILES: c12ccccc1cccc2OCc1nnc(c2ccc(c(c2)C)F)o1
• Title of publication: Crystal structure of 2-(4-fluoro-3-methylphenyl)-5-{[(naphthalen-1-yl)oxy]methyl}-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: 4
• Pages of publication: o229 - o230
• a: 7.4236 ± 0.0004 Å
• b: 7.5062 ± 0.0004 Å
• c: 16.3519 ± 0.0008 Å
• α: 77.092 ± 0.003°
• β: 77.494 ± 0.003°
• γ: 66.734 ± 0.003°
• Cell volume: 807.51 ± 0.08 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: 0.0714
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes