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Information card for entry 1519240
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Coordinates | 1519240.cif |
---|
Formula | C12 H19 N3 O4 S |
---|---|
Calculated formula | C12 H19 N3 O4 S |
SMILES | N1(C(=O)C)CCOCC1.S(=O)(=O)(c1ccc(N)cc1)N |
Title of publication | 4-Amino-benzenesulfonamide 1-Morpholin-4-yl-ethanone solvate |
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 | 192 |
a | 10.218 ± 0.002 Å |
b | 8.8345 ± 0.0018 Å |
c | 16.655 ± 0.003 Å |
α | 90° |
β | 99.09 ± 0.03° |
γ | 90° |
Cell volume | 1484.6 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.054 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/1519240.html
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