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Information card for entry 8105859
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Coordinates | 8105859.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H15 N O S |
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Calculated formula | C11 H15 N O S |
Title of publication | Crystal structure of N-(3-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS |
Authors of publication | Yeo, Chien Ing; Tiekink, Edward R. T. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2019 |
Journal volume | 234 |
Journal issue | 4 |
Pages of publication | 813 - 815 |
a | 21.0452 ± 0.0012 Å |
b | 6.1447 ± 0.0004 Å |
c | 17.1892 ± 0.001 Å |
α | 90° |
β | 93.352 ± 0.001° |
γ | 90° |
Cell volume | 2219 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0854 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
278163 (current) | 2022-09-26 | cif/ Adding structures of 8105859 via cif-deposit CGI script. |
8105859.cif |
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Users of the data should acknowledge the original authors of the
structural data.