Information card for entry 2203105

Structure parameters

• Chemical name: 1,3-diethylbenzimidazolium iodide
• Formula: C11 H15 I N2
• Calculated formula: C11 H15 I N2
• SMILES: [I-].n1(c2c([n+](CC)c1)cccc2)CC
• Title of publication: 1,3-Diethylbenzimidazolium iodide
• Authors of publication: Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o28 - o30
• a: 11.2578 ± 0.0005 Å
• b: 14.6014 ± 0.0007 Å
• c: 15.1903 ± 0.0005 Å
• α: 90°
• β: 90.212 ± 0.003°
• γ: 90°
• Cell volume: 2496.96 ± 0.18 ų
• Cell temperature: 277 ± 1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 4
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1142
• 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