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Information card for entry 7707145
Preview
| Coordinates | 7707145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | JPL-176 |
|---|---|
| Formula | C22 H21 N6 O4.5 S Zn |
| Calculated formula | C22 H21 N6 O4.5 S Zn |
| SMILES | [Zn]123(SC(=N[N]2=Cc2cccc(N(=O)=O)c2O1)NCC)[n]1c2c4[n]3cccc4ccc2ccc1.O.O |
| Title of publication | Synthesis of (3-nitro-2-oxo-benzaldehyde thiosemicarbazonato)-zinc(II) complexes: the position of nitro group in phenyl ring alters antimicrobial activity against <i>K. pneumoniae</i> 1, <i>S. typhimurium</i> 2, MRSA and <i>C. albicans</i>. |
| Authors of publication | Lobana, Tarlok S.; Indoria, Shikha; Sood, Henna; Arora, Daljit S.; Kaur, Manpreet; Jasinski, Jerry P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 20 |
| Pages of publication | 6823 - 6833 |
| a | 12.1163 ± 0.0008 Å |
| b | 13.757 ± 0.001 Å |
| c | 17.8138 ± 0.0009 Å |
| α | 109.265 ± 0.006° |
| β | 94.725 ± 0.005° |
| γ | 113.463 ± 0.007° |
| Cell volume | 2491.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1163 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.1905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294865 (current) | 2024-09-24 | cif/7: Fixing Z values and formulae |
7707145.cif |
| 266038 | 2021-06-05 | cif/ Updating files of 7707144, 7707145, 7707146, 7707147 Original log message: Adding full bibliography for 7707144--7707147.cif. |
7707145.cif |
| 264267 | 2021-04-17 | cif/ Adding structures of 7707144, 7707145, 7707146, 7707147 via cif-deposit CGI script. |
7707145.cif |
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