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Information card for entry 1519278
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Coordinates | 1519278.cif |
---|
Formula | C12 H13 N3 O2 S |
---|---|
Calculated formula | C12 H13 N3 O2 S |
SMILES | S(=O)(=O)(N=c1[nH]ccc(c1)C)c1ccc(cc1)N |
Title of publication | 4-Amino-N-(4-methyl-1H-pyridin-2-ylidene)-benzenesulfonamide |
Authors of publication | Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2000 |
Pages of publication | 180 |
a | 15.837 ± 0.003 Å |
b | 8.6247 ± 0.0017 Å |
c | 18.643 ± 0.004 Å |
α | 90° |
β | 94.14 ± 0.03° |
γ | 90° |
Cell volume | 2539.8 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.104 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1077 |
Weighted residual factors for all reflections included in the refinement | 0.1276 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
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/1519278.html
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