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Information card for entry 2311223
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Coordinates | 2311223.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Methyl (2<i>Z</i>)-2-{(2<i>Z</i>)-3-[(cyclopentylidene)amino]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene}acetate |
---|---|
Formula | C17 H17 N3 O3 S |
Calculated formula | C17 H17 N3 O3 S |
SMILES | S1/C(N(N=C2CCCC2)C(=O)C\1=C\C(=O)OC)=N\c1ccccc1 |
Title of publication | Methyl (2Z)-2-{(2Z)-3-[(cyclo-pentyl-idene)amino]-4-oxo-2-phenyl-imino-1,3-thia-zol-idin-5-yl-idene}acetate. |
Authors of publication | Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R. |
Journal of publication | Acta crystallographica. Section E, Structure reports online |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | Pt 3 |
Pages of publication | o366 - 7 |
a | 9.9684 ± 0.0002 Å |
b | 9.9657 ± 0.0002 Å |
c | 16.9818 ± 0.0003 Å |
α | 90° |
β | 105.929 ± 0.0006° |
γ | 90° |
Cell volume | 1622.23 ± 0.05 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0309 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2311223.html
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