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Information card for entry 1543888
Preview
| Coordinates | 1543888.cif |
|---|---|
| Structure factors | 1543888.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide |
|---|---|
| Formula | C20 H16 N4 O2 S |
| Calculated formula | C20 H16 N4 O2 S |
| SMILES | s1c(/C=C(\NC(=O)c2ccccc2)C(=O)/N=N/Cc2ncccc2)ccc1 |
| Title of publication | <i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide |
| Authors of publication | Sharma, Devinder K.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 8 |
| Pages of publication | x161276 |
| a | 9.3289 ± 0.001 Å |
| b | 9.9031 ± 0.001 Å |
| c | 9.8984 ± 0.0012 Å |
| α | 90° |
| β | 97.221 ± 0.011° |
| γ | 90° |
| Cell volume | 907.21 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185792 (current) | 2016-08-13 | cif/ hkl/ Adding structures of 1543888 via cif-deposit CGI script. |
1543888.cif 1543888.hkl |
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Users of the data should acknowledge the original authors of the
structural data.