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Information card for entry 7055864
Preview
| Coordinates | 7055864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-((1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)methyl)-N-3-diphenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide |
|---|---|
| Formula | C29 H28 Br N7 O2 |
| Calculated formula | C29 H28 Br N7 O2 |
| SMILES | Brc1ccc(n2nnc(c2)Cn2nc(c3c2CCN(C3)C(=O)Nc2ccccc2)c2ccccc2)cc1.OC |
| Title of publication | Identification and development of pyrazolo[4,3-c]pyridine carboxamides as Mycobacterium tuberculosis pantothenate synthetase inhibitors |
| Authors of publication | Amaroju, Suresh; Kalaga, Mahalakshmi Naidu; Srinivasarao, Singireddi; Napiórkowska, Agnieszka; Augustynowicz-Kopeć, Ewa; Murugesan, Sankaranarayanan; Chander, Subhash; Krishnan, Rangan; Chandra Sekhar, Kondapalli Venkata Gowri |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| Journal volume | 41 |
| Journal issue | 1 |
| Pages of publication | 347 |
| a | 7.8845 ± 0.0003 Å |
| b | 11.9643 ± 0.0004 Å |
| c | 14.9423 ± 0.0004 Å |
| α | 102.268 ± 0.002° |
| β | 101.916 ± 0.002° |
| γ | 95.003 ± 0.003° |
| Cell volume | 1334.95 ± 0.08 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for all reflections included in the refinement | 0.2031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191720 (current) | 2017-02-04 | cif/ Updating files of 7055864 Original log message: Adding full bibliography for 7055864.cif. |
7055864.cif |
| 188369 | 2016-11-10 | cif/ Adding structures of 7055864 via cif-deposit CGI script. |
7055864.cif |
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