Information card for entry 2022499

Structure parameters

• Common name: Acridin-1-ium hippurate monohydrate
• Chemical name: Acridin-1-ium 2-benzamidoacetate monohydrate
• Formula: C22 H20 N2 O4
• Calculated formula: C22 H20 N2 O4
• SMILES: [nH+]1c2c(cc3c1cccc3)cccc2.N(C(=O)c1ccccc1)CC(=O)[O-].O
• 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: 7.3436 ± 0.0013 Å
• b: 11.0761 ± 0.0015 Å
• c: 23.123 ± 0.003 Å
• α: 90°
• β: 90.835 ± 0.005°
• γ: 90°
• Cell volume: 1880.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1033
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes