Information card for entry 2219899

Structure parameters

• Chemical name: phenyl quinoxalin-2-yl ether
• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• SMILES: O(c1ccccc1)c1nc2c(nc1)cccc2
• Title of publication: A second monoclinic modification of phenyl quinoxalin-2-yl ether
• Authors of publication: Abdullah, Zanariah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2165
• a: 7.9447 ± 0.0002 Å
• b: 6.5169 ± 0.0001 Å
• c: 20.2992 ± 0.0005 Å
• α: 90°
• β: 91.983 ± 0.001°
• γ: 90°
• Cell volume: 1050.36 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes