Information card for entry 2219268

Structure parameters

• Chemical name: Quinoxalin-2-yl <i>m</i>-tolyl ether
• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: O(c1cc(ccc1)C)c1nc2c(nc1)cccc2
• Title of publication: Quinoxalin-2-yl <i>m</i>-tolyl ether
• Authors of publication: Hassan, Nor Duha; Tajuddin, Hairul Anuar; Abdullah, Zanariah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1822
• a: 18.5958 ± 0.0005 Å
• b: 7.071 ± 0.0001 Å
• c: 19.4821 ± 0.0005 Å
• α: 90°
• β: 112.487 ± 0.001°
• γ: 90°
• Cell volume: 2366.94 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes