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Information card for entry 2241165
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| Coordinates | 2241165.cif |
|---|---|
| Structure factors | 2241165.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-Methoxy-5-methyl-<i>N</i>-phenyl-triazole-4-carboxamide |
|---|---|
| Formula | C11 H12 N4 O2 |
| Calculated formula | C11 H12 N4 O2 |
| SMILES | O=C(c1nnn(c1C)OC)Nc1ccccc1 |
| Title of publication | Crystal structure of 1-methoxy-5-methyl-<i>N</i>-phenyl-1.2.3-triazole-4-carboxamide |
| Authors of publication | Khazhieva, Inna S.; Glukhareva, Tatiana V.; Slepukhin, Pavel A.; Morzherin, Yury Yu. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o798 |
| a | 11.4637 ± 0.0008 Å |
| b | 6.4345 ± 0.0013 Å |
| c | 15.822 ± 0.003 Å |
| α | 90° |
| β | 100.367 ± 0.012° |
| γ | 90° |
| Cell volume | 1148 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1296 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241165.cif 2241165.hkl |
| 158433 | 2015-09-27 | cif/ hkl/ Adding structures of 2241165 via cif-deposit CGI script. |
2241165.cif 2241165.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.