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Information card for entry 2241246
Preview
Coordinates | 2241246.cif |
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Structure factors | 2241246.hkl |
Original paper (by DOI) | HTML |
Chemical name | 2-Cyclohexyl-1,3-thiazolo[4,5-<i>b</i>]pyridine |
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Formula | C12 H14 N2 S |
Calculated formula | C12 H14 N2 S |
SMILES | c1(C2CCCCC2)nc2c(cccn2)s1 |
Title of publication | Crystal structure of 2-cyclohexyl-1,3-thiazolo[4,5-<i>b</i>]pyridine |
Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Ajarim, Mansour D.; Kariuki, Benson M. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 11 |
Pages of publication | o866 |
a | 7.8884 ± 0.0005 Å |
b | 11.8079 ± 0.0007 Å |
c | 12.2134 ± 0.0006 Å |
α | 90° |
β | 100.589 ± 0.006° |
γ | 90° |
Cell volume | 1118.25 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0674 |
Residual factor for significantly intense reflections | 0.0626 |
Weighted residual factors for significantly intense reflections | 0.1737 |
Weighted residual factors for all reflections included in the refinement | 0.1804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241246.cif 2241246.hkl |
169839 | 2015-10-29 | cif/ hkl/ Adding structures of 2241246 via cif-deposit CGI script. |
2241246.cif 2241246.hkl |
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Users of the data should acknowledge the original authors of the
structural data.