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Information card for entry 1551554
Preview
| Coordinates | 1551554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 N2 O5 |
|---|---|
| Calculated formula | C16 H14 N2 O5 |
| SMILES | O=C(Nc1ccc(N(=O)=O)cc1)c1c(c(OC(=O)C)ccc1)C |
| Title of publication | Crystal Structure of 3-Acetoxy-2-methyl-<i>N</i>-(4-nitrophenyl)benzamide |
| Authors of publication | KANSIZ, Sevgi; ÇAKMAK, Sükriye; DEGE, Necmi; MERAL, Güngör; KÜTÜK, Halil |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2018 |
| Journal volume | 34 |
| Journal issue | 0 |
| Pages of publication | 17 |
| a | 5.8658 ± 0.0003 Å |
| b | 17.1661 ± 0.001 Å |
| c | 15.1938 ± 0.0007 Å |
| α | 90° |
| β | 103.182 ± 0.004° |
| γ | 90° |
| Cell volume | 1489.6 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0724 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216164 (current) | 2019-06-20 | cif/ Adding structures of 1551554 via cif-deposit CGI script. |
1551554.cif |
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Users of the data should acknowledge the original authors of the
structural data.