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Information card for entry 2234224
Preview
Coordinates | 2234224.cif |
---|---|
Structure factors | 2234224.hkl |
Original IUCr paper | HTML |
Common name | (<i>E</i>)-[1-(Thiophen-3-yl)ethylidene]({2-[(<i>E</i>)-[1-(thiophen-3-yl)\ ethylidene]amino]ethyl})amine |
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Chemical name | <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-1-(thiophen-3-yl)ethylidene]ethane-1,2-diamine |
Formula | C14 H16 N2 S2 |
Calculated formula | C14 H16 N2 S2 |
SMILES | CC(=N\CC/N=C(/c1cscc1)C)/c1cscc1 |
Title of publication | <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-1-(thiophen-3-yl)ethylidene]ethane-1,2-diamine |
Authors of publication | Asiri, Abdullah M.; Faidallah, Hassan M.; Khan, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 4 |
Pages of publication | o1026 |
a | 7.5231 ± 0.0006 Å |
b | 11.2338 ± 0.0006 Å |
c | 8.5967 ± 0.0006 Å |
α | 90° |
β | 112.894 ± 0.009° |
γ | 90° |
Cell volume | 669.3 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0484 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2234224.html
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Users of the data should acknowledge the original authors of the
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