Information card for entry 2229852

Structure parameters

• Chemical name: 2-Methyl-5,6-dinitrobenzimidazolium chloride
• Formula: C8 H7 Cl N4 O4
• Calculated formula: C8 H7 Cl N4 O4
• Title of publication: 2-Methyl-5,6-dinitrobenzimidazolium chloride
• Authors of publication: Dinçer, Sebla; Gönülalan, Gonca; Tercan, Barış; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o806 - o807
• a: 4.9453 ± 0.0001 Å
• b: 20.4691 ± 0.0004 Å
• c: 10.4543 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1058.25 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes