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Information card for entry 2311222
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Coordinates | 2311222.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2-Cycloheptylidene-<i>N</i>-phenylhydrazinecarbothioamide |
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Formula | C14 H19 N3 S |
Calculated formula | C14 H19 N3 S |
SMILES | S=C(Nc1ccccc1)NN=C1CCCCCC1 |
Title of publication | 2-Cyclo-heptyl-idene-N-phenyl-hydrazine-carbo-thio-amide. |
Authors of publication | Akkurt, Mehmet; Mohamed, Shaaban K.; Mague, Joel T.; 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 | o359 |
a | 22.1371 ± 0.0004 Å |
b | 6.1079 ± 0.0001 Å |
c | 22.0796 ± 0.0005 Å |
α | 90° |
β | 113.219 ± 0.002° |
γ | 90° |
Cell volume | 2743.6 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0334 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.0771 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/2311222.html
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