Information card for entry 2014845

Structure parameters

• Chemical name: (E)-1,2-bis(1-methylbenzimidazol-2-yl)ethene
• Formula: C18 H16 N4
• Calculated formula: C18 H16 N4
• SMILES: Cn1c(/C=C/c2nc3c(n2C)cccc3)nc2c1cccc2
• Title of publication: Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups
• Authors of publication: Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o354 - o357
• a: 6.2517 ± 0.0002 Å
• b: 12.0363 ± 0.0005 Å
• c: 9.9464 ± 0.0003 Å
• α: 90°
• β: 102.927 ± 0.003°
• γ: 90°
• Cell volume: 729.47 ± 0.04 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 3
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes