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Information card for entry 2311225
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Coordinates | 2311225.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Methyl 2-((2<i>Z</i>,5<i>Z</i>)-4-oxo-3-phenyl-2-{2-[(1<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ylidene}-1,3-thiazolidin-5-ylidene)acetate |
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Formula | C22 H19 N3 O3 S |
Calculated formula | C22 H19 N3 O3 S |
SMILES | S1C(=C\C(=O)OC)/C(=O)N(/C1=N/N=C1\CCCc2ccccc12)c1ccccc1 |
Title of publication | Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-yl-idene}-1,3-thia-zolidin-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 4 |
Pages of publication | o436 - 7 |
a | 9.7078 ± 0.0006 Å |
b | 9.7134 ± 0.0006 Å |
c | 11.1061 ± 0.0007 Å |
α | 67.981 ± 0.0009° |
β | 88.84 ± 0.0009° |
γ | 85.984 ± 0.0009° |
Cell volume | 968.47 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0466 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.097 |
Weighted residual factors for all reflections included in the refinement | 0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2311225.html
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Users of the data should acknowledge the original authors of the
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