Information card for entry 2229932

Structure parameters

• Chemical name: 2-Amino-4-phenyl-4<i>H</i>,10<i>H</i>-1,3,5- triazino[1,2-<i>a</i>]benzimidazol-3-ium chloride
• Formula: C15 H14 Cl N5
• Calculated formula: C15 H14 Cl N5
• Title of publication: 2-Amino-4-phenyl-4<i>H</i>,10<i>H</i>-1,3,5-triazino[1,2-<i>a</i>]benzimidazol-3-ium chloride
• Authors of publication: Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Abdel-Ghany, Hossam; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1154
• a: 8.6454 ± 0.0005 Å
• b: 9.044 ± 0.0004 Å
• c: 9.7182 ± 0.0006 Å
• α: 83.306 ± 0.004°
• β: 70.956 ± 0.005°
• γ: 81.523 ± 0.004°
• Cell volume: 708.51 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes