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Information card for entry 2243432
Preview
| Coordinates | 2243432.cif |
|---|---|
| Structure factors | 2243432.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-({4-[3-(4-Methylphenyl)-4-sydnonylideneamino]-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl}methyl)benzamide ethanol monosolvate |
|---|---|
| Formula | C22 H23 N7 O4 S |
| Calculated formula | C22 H23 N7 O4 S |
| Title of publication | Two <i>N</i>-{[4-(3-aryl-4-sydnonylideneamino)-5-sulfanylidene-1<i>H</i>-1,2,4-triazol-3-yl]methyl}benzamides as disordered ethanol monosolvates |
| Authors of publication | Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Kadambar, Anish Kumar; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 7 |
| Pages of publication | 1057 - 1061 |
| a | 8.5631 ± 0.0005 Å |
| b | 11.1242 ± 0.0008 Å |
| c | 13.5632 ± 0.0009 Å |
| α | 70.244 ± 0.006° |
| β | 76.086 ± 0.007° |
| γ | 84.058 ± 0.006° |
| Cell volume | 1179.92 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1177 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253059 (current) | 2020-06-10 | cif/ hkl/ Adding structures of 2243431, 2243432 via cif-deposit CGI script. |
2243432.cif 2243432.hkl |
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Users of the data should acknowledge the original authors of the
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