Information card for entry 2011401

Structure parameters

• Common name: 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine
• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: COc1ccc(cc1)/C=C/c1ncc(nc1)/C=C/c1ccc(cc1)OC
• Title of publication: A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine
• Authors of publication: Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1277 - 1279
• a: 9.124 ± 0.001 Å
• b: 26.061 ± 0.003 Å
• c: 7.328 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1742.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.6891 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes