Information card for entry 2243978

Structure parameters

• Chemical name: 9-Aminoacridinium chloride <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C16 H18 Cl N3 O
• Calculated formula: C16 H18 Cl N3 O
• SMILES: [Cl-].[nH+]1c2c(c(N)c3c1cccc3)cccc2.N(C=O)(C)C
• Title of publication: Crystal structure of 9-aminoacridinium chloride <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Authors of publication: Fritsky, Igor O.; Sirenko, Valerii Y.; Shova, Sergiu; Kucheriv, Olesia I.; Gural'skiy, Il'ya A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 1303 - 1306
• a: 10.5819 ± 0.0007 Å
• b: 42.705 ± 0.002 Å
• c: 7.2531 ± 0.0006 Å
• α: 90°
• β: 108.8 ± 0.008°
• γ: 90°
• Cell volume: 3102.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1353
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes