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Information card for entry 2243235
Preview
Coordinates | 2243235.cif |
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Structure factors | 2243235.hkl |
Original IUCr paper | HTML |
Chemical name | 2-(4-Chlorobenzyl)-6-(4-fluorophenyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazole |
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Formula | C26 H18 Cl F N4 S |
Calculated formula | C26 H18 Cl F N4 S |
Title of publication | Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles |
Authors of publication | Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2020 |
Journal volume | 76 |
Journal issue | 1 |
Pages of publication | 18 - 24 |
a | 15.34 ± 0.001 Å |
b | 11.1619 ± 0.0007 Å |
c | 15.385 ± 0.001 Å |
α | 90° |
β | 119.48 ± 0.01° |
γ | 90° |
Cell volume | 2293.2 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.093 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
246418 (current) | 2020-01-01 | cif/ hkl/ Adding structures of 2243234, 2243235, 2243236 via cif-deposit CGI script. |
2243235.cif 2243235.hkl |
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Users of the data should acknowledge the original authors of the
structural data.