Information card for entry 2223757

Structure parameters

• Chemical name: 9-Benzamidoacridinium chloride
• Formula: C20 H15 Cl N2 O
• Calculated formula: C20 H15 Cl N2 O
• SMILES: [Cl-].O=C(Nc1c2ccccc2[nH+]c2ccccc12)c1ccccc1
• Title of publication: 9-Benzamidoacridinium chloride
• Authors of publication: Huang, Kun; Liu, Kun-Ying; Qin, Da-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2622
• a: 8.9601 ± 0.0017 Å
• b: 9.0084 ± 0.0017 Å
• c: 10.8775 ± 0.0018 Å
• α: 79.168 ± 0.007°
• β: 65.855 ± 0.005°
• γ: 86.927 ± 0.007°
• Cell volume: 786.6 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes