Information card for entry 2214481

Structure parameters

• Chemical name: trans-4-[2-(1,3-Benzoxazol-2-yl)ethenyl]benzaldehyde
• Formula: C16 H11 N O2
• Calculated formula: C16 H11 N O2
• SMILES: o1c2ccccc2nc1/C=C/c1ccc(cc1)C=O
• Title of publication: <i>trans</i>-4-[2-(1,3-Benzoxazol-2-yl)ethenyl]benzaldehyde
• Authors of publication: Duan-Lin Cao; Zhi-Yong Hu; Jin-Qiang Xue; Ya-Qing Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3428 - o3428
• a: 6.509 ± 0.002 Å
• b: 7.404 ± 0.003 Å
• c: 14.005 ± 0.005 Å
• α: 79.885 ± 0.006°
• β: 80.766 ± 0.006°
• γ: 68.565 ± 0.007°
• Cell volume: 615.1 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1192
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes