Information card for entry 2014847

Structure parameters

• Chemical name: 3-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazol-1-ium perchlorate
• Formula: C20 H21 Cl N4 O4
• Calculated formula: C20 H21 Cl N4 O4
• SMILES: Cl(=O)(=O)(=O)[O-].n1(c2c(nc1\C=C/c1n(c3c([nH+]1)cccc3)CC)cccc2)CC
• 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: 14.381 ± 0.0005 Å
• b: 8.3007 ± 0.0003 Å
• c: 16.4788 ± 0.0006 Å
• α: 90°
• β: 91.561 ± 0.003°
• γ: 90°
• Cell volume: 1966.38 ± 0.12 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 5
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1483
• 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: No