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Information card for entry 7240206
Preview
| Coordinates | 7240206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 Cl N6 O2 |
|---|---|
| Calculated formula | C21 H19 Cl N6 O2 |
| SMILES | Clc1ccc(C(=O)Nc2cnc(N3CCN(C(=O)c4nccnc4)CC3)cc2)cc1 |
| Title of publication | Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents |
| Authors of publication | Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 21 |
| Pages of publication | 12272 - 12288 |
| a | 5.6978 ± 0.0001 Å |
| b | 21.2347 ± 0.0003 Å |
| c | 16.1672 ± 0.0002 Å |
| α | 90° |
| β | 98.561 ± 0.001° |
| γ | 90° |
| Cell volume | 1934.29 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0448 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0284 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258116 (current) | 2020-10-06 | cif/ Updating files of 7240204, 7240205, 7240206 Original log message: Adding full bibliography for 7240204--7240206.cif. |
7240206.cif |
| 249729 | 2020-03-26 | cif/ Adding structures of 7240204, 7240205, 7240206 via cif-deposit CGI script. |
7240206.cif |
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Users of the data should acknowledge the original authors of the
structural data.