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Information card for entry 2021692
Preview
| Coordinates | 2021692.cif |
|---|---|
| Structure factors | 2021692.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Nitrobenzenesulfonamido)benzoic acid |
|---|---|
| Formula | C13 H10 N2 O6 S |
| Calculated formula | C13 H10 N2 O6 S |
| SMILES | S(=O)(=O)(Nc1c(C(=O)O)cccc1)c1ccc(N(=O)=O)cc1 |
| Title of publication | Synthesis, crystal structure and studies on the interaction with albumin of a new silver(I) complex based on 2-(4-nitrobenzenesulfonamido)benzoic acid |
| Authors of publication | Bomfim Filho, Lucius Flavius Ourives; Rocha, Cleidivania; Rodrigues, Bernardo Lages; Beraldo, Heloisa; Teixeira, Leticia Regina |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| Pages of publication | 1011 - 1020 |
| a | 6.914 ± 0.0003 Å |
| b | 10.0641 ± 0.0005 Å |
| c | 10.1532 ± 0.0005 Å |
| α | 102.153 ± 0.004° |
| β | 100.951 ± 0.004° |
| γ | 99.745 ± 0.004° |
| Cell volume | 661.77 ± 0.06 Å3 |
| Cell temperature | 300.7 ± 0.14 K |
| Ambient diffraction temperature | 300.7 ± 0.14 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 all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216640 (current) | 2019-06-29 | cif/ hkl/ Adding structures of 2021692, 2021693 via cif-deposit CGI script. |
2021692.cif 2021692.hkl |
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Users of the data should acknowledge the original authors of the
structural data.