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Information card for entry 8106425
Preview
Coordinates | 8106425.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H14 N2 O2 S |
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Calculated formula | C14 H14 N2 O2 S |
Title of publication | Crystal structure of (Z)-Ethyl 2-cyano-2-(3-phenylthiazolidin-2-ylidene) acetate, C14H14N2O2S |
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 | 2017 |
Journal volume | 232 |
Journal issue | 1 |
Pages of publication | 41 - 42 |
a | 8.6471 ± 0.0004 Å |
b | 9.5576 ± 0.0005 Å |
c | 9.7098 ± 0.0005 Å |
α | 91.054 ± 0.002° |
β | 109.38 ± 0.002° |
γ | 113.769 ± 0.002° |
Cell volume | 681.95 ± 0.06 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0839 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.1554 |
Weighted residual factors for all reflections included in the refinement | 0.1745 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/8106425.html
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Users of the data should acknowledge the original authors of the
structural data.