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Information card for entry 7158766
Preview
Coordinates | 7158766.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H11 Br N2 O3 S |
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Calculated formula | C13 H11 Br N2 O3 S |
Title of publication | The regioselective synthesis of 2,5- and 4,5-disubstituted thiazoles <i>via</i> the cyclization of 2-oxo-2-(amino)ethanedithioates with isocyanides. |
Authors of publication | Ravi Singh, Krishna; Santhosh, Chikkappaiahnayaka; Swaroop, Toreshettahally R.; Sadashiva, Maralinganadoddi P. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 29 |
Pages of publication | 5771 - 5778 |
a | 6.5681 ± 0.0004 Å |
b | 14.0924 ± 0.0009 Å |
c | 15.4674 ± 0.001 Å |
α | 90° |
β | 94.19 ± 0.004° |
γ | 90° |
Cell volume | 1427.84 ± 0.16 Å3 |
Cell temperature | 297 K |
Ambient diffraction temperature | 297 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 | 0.0798 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.144 |
Weighted residual factors for all reflections included in the refinement | 0.1507 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.33 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7158766.html
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