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Information card for entry 2022498
Preview
| Coordinates | 2022498.cif |
|---|---|
| Structure factors | 2022498.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271877 (current) | 2022-01-07 | cif/ hkl/ Adding structures of 2022497, 2022498, 2022499 via cif-deposit CGI script. |
2022498.cif 2022498.hkl |
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Users of the data should acknowledge the original authors of the
structural data.