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Information card for entry 7159911
Preview
| Coordinates | 7159911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester |
|---|---|
| Chemical name | 2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester |
| Formula | C18 H15 Cl N2 O2 |
| Calculated formula | C18 H15 Cl N2 O2 |
| SMILES | c1(c(cc2c(ccc(c2)C)n1)COC(=O)c1ccccc1N)Cl |
| Title of publication | Design, synthesis, biological evaluation and molecular docking studies of quinoline-anthranilic acid hybrids as potent anti-inflammatory drugs. |
| Authors of publication | Siddique, Sidra; Hussain, Khalid; Shehzadi, Naureen; Arshad, Muhammad; Arshad, Muhammad Nadeem; Iftikhar, Sadaf; Saghir, Farhat; Shaukat, Ayisha; Sarfraz, Muhammad; Ahmed, Nisar |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 18 |
| Pages of publication | 3708 - 3724 |
| a | 9.56 ± 0.0008 Å |
| b | 17.5287 ± 0.0018 Å |
| c | 9.6337 ± 0.001 Å |
| α | 90° |
| β | 100.077 ± 0.002° |
| γ | 90° |
| Cell volume | 1589.5 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1448 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1909 |
| Weighted residual factors for all reflections included in the refinement | 0.235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293263 (current) | 2024-07-05 | cif/ Updating files of 7159911 Original log message: Adding full bibliography for 7159911.cif. |
7159911.cif |
| 291330 | 2024-04-23 | cif/ Adding structures of 7159911 via cif-deposit CGI script. |
7159911.cif |
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structural data.