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Information card for entry 8106247
Preview
Coordinates | 8106247.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H10 Cl N O S |
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Calculated formula | C9 H10 Cl N O S |
Title of publication | Crystal structure and molecular packing of O-ethyl (2-chlorophenyl)carbamothioate, C9H10ClNOS |
Authors of publication | Yeo, Chien Ing; Tiekink, Edward R.T. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 233 |
Journal issue | 4 |
Pages of publication | 651 - 653 |
a | 7.2277 ± 0.0003 Å |
b | 9.9791 ± 0.0003 Å |
c | 14.7725 ± 0.0007 Å |
α | 81.007 ± 0.003° |
β | 82.268 ± 0.004° |
γ | 73.21 ± 0.003° |
Cell volume | 1003.01 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0544 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.0828 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
279546 (current) | 2022-11-24 | cif/ Adding structures of 8106247 via cif-deposit CGI script. |
8106247.cif |
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Users of the data should acknowledge the original authors of the
structural data.