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Information card for entry 2244161
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| Coordinates | 2244161.cif |
|---|---|
| Structure factors | 2244161.hkl |
| Original IUCr paper | HTML |
| Common name | 2-[(Morpholin-4-yl)carbothioyl]-1<i>H</i>-1,3-benzodiazole |
|---|---|
| Chemical name | (1<i>H</i>-Benzimidazol-2-yl)(morpholin-4-yl)methanethione |
| Formula | C12 H13 N3 O S |
| Calculated formula | C12 H13 N3 O S |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of (1<i>H</i>-benzimidazol-2-yl)(morpholin-4-yl)methanethione |
| Authors of publication | Mutalliev, Lukmonjon Z.; Abdullaev, Sirojiddin; Pirnazarova, Nasiba; Obidova, Ibodat; Turgunov, Kambarali; Yakubov, Ubaydullo; Ashurov, Jamshid M.; Elmuradov, Burkhan Zh.; Mamadrakhimov, Azimjon A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 10 |
| a | 8.1644 ± 0.0002 Å |
| b | 15.9237 ± 0.0003 Å |
| c | 9.6936 ± 0.0002 Å |
| α | 90° |
| β | 106.661 ± 0.002° |
| γ | 90° |
| Cell volume | 1207.33 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277749 (current) | 2022-09-09 | cif/ hkl/ Adding structures of 2244161 via cif-deposit CGI script. |
2244161.cif 2244161.hkl |
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Users of the data should acknowledge the original authors of the
structural data.