Information card for entry 2230531

Structure parameters

• Chemical name: 2-(Naphthalen-1-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4<i>H</i>)-one
• Formula: C18 H11 N O2 S
• Calculated formula: C18 H11 N O2 S
• SMILES: s1c(/C=C/2N=C(OC2=O)c2c3ccccc3ccc2)ccc1
• Title of publication: 2-(Naphthalen-1-yl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4<i>H</i>)-one
• Authors of publication: Gündoğdu, Cevher; Alp, Serap; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1321 - o1322
• a: 11.1509 ± 0.0003 Å
• b: 7.0871 ± 0.0002 Å
• c: 35.2592 ± 0.0005 Å
• α: 90°
• β: 97.914 ± 0.004°
• γ: 90°
• Cell volume: 2759.91 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1198
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes