Information card for entry 2240848

Structure parameters

• Chemical name: 5-(1-Benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol
• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• SMILES: O1N=C(c2ccc(cc2)C)CC1(O)c1oc2c(c1)cccc2
• Title of publication: Crystal structure of 5-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol
• Authors of publication: Ravi, A. J.; Vinayaka, A. C.; Jeyaseelan, S.; Sadashiva, M. P.; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o492 - o493
• a: 10.22 ± 0.0015 Å
• b: 14.2289 ± 0.0019 Å
• c: 10.2474 ± 0.0015 Å
• α: 90°
• β: 93.058 ± 0.007°
• γ: 90°
• Cell volume: 1488 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes