Information card for entry 2238777

Structure parameters

• Chemical name: (<i>E</i>)-2-[2-(3-Nitrophenyl)ethenyl]quinolin-8-ol
• Formula: C17 H12 N2 O3
• Calculated formula: C17 H12 N2 O3
• SMILES: Oc1cccc2ccc(nc12)/C=C/c1cc(N(=O)=O)ccc1
• Title of publication: (<i>E</i>)-2-[2-(3-Nitrophenyl)ethenyl]quinolin-8-ol
• Authors of publication: Schulze, Mathias; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1651 - o1652
• a: 20.3346 ± 0.0007 Å
• b: 4.7167 ± 0.0001 Å
• c: 15.5674 ± 0.0006 Å
• α: 90°
• β: 109.255 ± 0.002°
• γ: 90°
• Cell volume: 1409.58 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0946
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No