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Information card for entry 8106256
Preview
| Coordinates | 8106256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H23 N5 O3 S |
|---|---|
| Calculated formula | C24 H23 N5 O3 S |
| Title of publication | Crystal structure of ethyl 4-amino-5-(5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbonyl)-2-(phenylamino)thiophene-3-carboxylate, C24H23N5O3S |
| Authors of publication | Geesi, Mohammed H.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 673 - 674 |
| a | 9.1704 ± 0.0009 Å |
| b | 10.1253 ± 0.0011 Å |
| c | 12.2182 ± 0.0014 Å |
| α | 83.686 ± 0.01° |
| β | 89.542 ± 0.009° |
| γ | 76.982 ± 0.009° |
| Cell volume | 1098.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0913 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1237 |
| Weighted residual factors for all reflections included in the refinement | 0.151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279562 (current) | 2022-11-25 | cif/ Adding structures of 8106256 via cif-deposit CGI script. |
8106256.cif |
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Users of the data should acknowledge the original authors of the
structural data.