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Information card for entry 1519210
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Coordinates | 1519210.cif |
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Common name | benzenesulfonamido-5-chloropyridine |
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Chemical name | Benzenesulfonamido-5-chloropyridine |
Formula | C11 H9 Cl N2 O2 S |
Calculated formula | C11 H9 Cl N2 O2 S |
SMILES | S(=O)(=O)(Nc1ncc(Cl)cc1)c1ccccc1 |
Title of publication | N-(5-Chloro-pyridin-2-yl)-benzenesulfonamide |
Authors of publication | Threlfall, Terry L; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 1999 |
Pages of publication | 172 |
a | 9.643 ± 0.002 Å |
b | 11.069 ± 0.002 Å |
c | 11.162 ± 0.002 Å |
α | 93.35 ± 0.03° |
β | 102.12 ± 0.03° |
γ | 98.2 ± 0.03° |
Cell volume | 1148.1 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0867 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/1519210.html
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