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Information card for entry 2021339
Preview
Coordinates | 2021339.cif |
---|---|
Structure factors | 2021339.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>Z</i>)-3-Methyl-2-{(<i>E</i>)-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one |
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Formula | C14 H21 N3 O S |
Calculated formula | C14 H21 N3 O S |
SMILES | [C@]12(/C(C[C@@H](CC1)C2(C)C)=N/N=C1\SCC(=O)N1C)C |
Title of publication | New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies |
Authors of publication | N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 12 |
a | 7.1606 ± 0.0004 Å |
b | 7.2405 ± 0.0003 Å |
c | 28.2842 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1466.43 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation probe | x-ray |
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/2021339.html
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Users of the data should acknowledge the original authors of the
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