Information card for entry 2022498

Structure parameters

• Common name: Acridin-1-ium 5-chlorosalicylate
• Chemical name: Acridin-1-ium 5-chloro-2-hydroxybenzoate
• Formula: C20 H14 Cl N O3
• Calculated formula: C20 H14 Cl N O3
• SMILES: Clc1cc(c(O)cc1)C(=O)[O-].[nH+]1c2c(cc3c1cccc3)cccc2
• Title of publication: Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules
• Authors of publication: Suganya, Suresh; Saravanan, Kandasamy; Jaganathan, Ramakrishnan; Kumaradhas, Poomani
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 790 - 799
• a: 11.4959 ± 0.0007 Å
• b: 8.3756 ± 0.0009 Å
• c: 17.45 ± 0.0016 Å
• α: 90°
• β: 102.255 ± 0.002°
• γ: 90°
• Cell volume: 1641.9 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes