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Information card for entry 8107050
Preview
Coordinates | 8107050.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H11 N O S2 |
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Calculated formula | C12 H11 N O S2 |
Title of publication | Crystal structure of 1-(2,3-dihydro-4-methyl-3-phenyl-2-thioxothiazol-5-yl)-1-ethanone, C12H11NOS2 |
Authors of publication | Mabkhot, Yahia N.; Ghabbour, Hazem A.; Al-Aizari, Faiz A.; Al-Showiman, Salim |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 3 |
Pages of publication | 925 - 926 |
a | 12.4674 ± 0.0006 Å |
b | 6.7357 ± 0.0003 Å |
c | 14.0709 ± 0.0006 Å |
α | 90° |
β | 98.189 ± 0.002° |
γ | 90° |
Cell volume | 1169.58 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0434 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections included in the refinement | 0.0802 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/8107050.html
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Users of the data should acknowledge the original authors of the
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