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Information card for entry 8106863
Preview
Coordinates | 8106863.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H12 Cl N O2 S3 |
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Calculated formula | C12 H12 Cl N O2 S3 |
Title of publication | Crystal structure of (Z)-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one —dimethylsulfoxide (1:1), C12H12ClNO2S3 |
Authors of publication | Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; Said, Mohamed M.; El Tamany, El Sayed H.; Fun, Hoong-Kun |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 1 |
Pages of publication | 319 - 320 |
a | 4.4065 ± 0.0007 Å |
b | 12.326 ± 0.002 Å |
c | 13.399 ± 0.002 Å |
α | 91.807 ± 0.006° |
β | 96.032 ± 0.006° |
γ | 96.667 ± 0.006° |
Cell volume | 718.1 ± 0.2 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 | 0.0751 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.1605 |
Weighted residual factors for all reflections included in the refinement | 0.1644 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
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/8106863.html
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