Information card for entry 2229828

Structure parameters

• Common name: 2,5-Bis[4-(dimethylamino)styryl]-3,6-dimethylpyrazine
• Chemical name: 4-[2-(5-{2-[4-(dimethylamino)phenyl]ethenyl}-3,6-dimethylpyrazin-2-yl)ethenyl]- <i>N</i>,<i>N</i>-dimethylaniline
• Formula: C26 H30 N4
• Calculated formula: C26 H30 N4
• SMILES: CN(c1ccc(cc1)/C=C/c1nc(C)c(nc1C)/C=C/c1ccc(cc1)N(C)C)C
• Title of publication: Monoclinic polymorph of 2,5-bis[4-(dimethylamino)styryl]-3,6-dimethylpyrazine
• Authors of publication: Fischer, Janina; Schmitt, Volker; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o875
• a: 6.0635 ± 0.0005 Å
• b: 15.5187 ± 0.0013 Å
• c: 12.8009 ± 0.0012 Å
• α: 90°
• β: 113.449 ± 0.006°
• γ: 90°
• Cell volume: 1105.06 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes