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Information card for entry 7153369
Preview
Coordinates | 7153369.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H28 Br2 N4 S |
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Calculated formula | C24 H28 Br2 N4 S |
SMILES | Brc1ccc(N(C(=N\c2ccc(Br)cc2)/N2CCCCC2)C(=S)N2CCCCC2)cc1 |
Title of publication | Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product. |
Authors of publication | Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2010 |
Journal volume | 8 |
Journal issue | 15 |
Pages of publication | 3389 - 3393 |
a | 9.2041 ± 0.0017 Å |
b | 11.356 ± 0.002 Å |
c | 23.799 ± 0.005 Å |
α | 90° |
β | 93.183 ± 0.012° |
γ | 90° |
Cell volume | 2483.7 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1539 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.1398 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7153369.html
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