Information card for entry 2022497

Structure parameters

• Common name: Acridin-1-ium 4-aminosalicylate
• Chemical name: Acridin-1-ium 4-amino-2-hydroxybenzoate
• Formula: C20 H16 N2 O3
• Calculated formula: C20 H16 N2 O3
• SMILES: Oc1c(C(=O)[O-])ccc(N)c1.[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: 7.1209 ± 0.0005 Å
• b: 12.1988 ± 0.0012 Å
• c: 20.1202 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1747.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes