Information card for entry 2020067

Structure parameters

• Chemical name: 4-Benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4<i>H</i>)-one
• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• SMILES: O1C(=NC(=C\c2ccccc2)/C1=O)c1ccc(cc1)C
• Title of publication: Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly
• Authors of publication: Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• a: 7.994 ± 0.0004 Å
• b: 9.0648 ± 0.0004 Å
• c: 10.7692 ± 0.0006 Å
• α: 109.136 ± 0.004°
• β: 109.397 ± 0.004°
• γ: 97.32 ± 0.004°
• Cell volume: 670.52 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes