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Information card for entry 7240205
Preview
| Coordinates | 7240205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H19 N7 O4 |
|---|---|
| Calculated formula | C21 H19 N7 O4 |
| SMILES | O=C(N1CCN(c2ncc(NC(=O)c3cc(N(=O)=O)ccc3)cc2)CC1)c1nccnc1 |
| 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 | 8.2628 ± 0.0002 Å |
| b | 9.9451 ± 0.0002 Å |
| c | 12.8729 ± 0.0003 Å |
| α | 74.307 ± 0.002° |
| β | 74.059 ± 0.002° |
| γ | 79.348 ± 0.002° |
| Cell volume | 972.22 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.0996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| 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 |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240205.cif |
| 258116 | 2020-10-06 | cif/ Updating files of 7240204, 7240205, 7240206 Original log message: Adding full bibliography for 7240204--7240206.cif. |
7240205.cif |
| 249729 | 2020-03-26 | cif/ Adding structures of 7240204, 7240205, 7240206 via cif-deposit CGI script. |
7240205.cif |
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Users of the data should acknowledge the original authors of the
structural data.