Information card for entry 2223549

Structure parameters

• Chemical name: 1,3-Diallyl-2-methylbenzimidazolium bromide dihydrate
• Formula: C14 H21 Br N2 O2
• Calculated formula: C14 H21 Br N2 O2
• Title of publication: 1,3-Diallyl-2-methylbenzimidazolium bromide dihydrate
• Authors of publication: Ennajih, Hamid; Bouhfid, Rachid; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2321
• a: 13.2888 ± 0.0002 Å
• b: 16.8763 ± 0.0002 Å
• c: 7.3897 ± 0.0001 Å
• α: 90°
• β: 109.773 ± 0.001°
• γ: 90°
• Cell volume: 1559.55 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes