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Information card for entry 7151804
Preview
Coordinates | 7151804.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H10 Cl2 N4 S |
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Calculated formula | C14 H10 Cl2 N4 S |
SMILES | s1c(Nc2cccc(Cl)c2)nnc1Nc1cc(Cl)ccc1 |
Title of publication | Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine. |
Authors of publication | Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 3235 - 3245 |
a | 29.6523 ± 0.001 Å |
b | 17.5907 ± 0.001 Å |
c | 17.344 ± 0.0007 Å |
α | 90° |
β | 108.649 ± 0.003° |
γ | 90° |
Cell volume | 8571.7 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1132 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1412 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
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/7151804.html
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