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Information card for entry 1519191
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Coordinates | 1519191.cif |
---|
Formula | C6 H8 N2 O2 S |
---|---|
Calculated formula | C6 H8 N2 O2 S |
SMILES | S(=O)(=O)(c1ccc(cc1)N)N |
Title of publication | 4-Amino-benzenesulfonamide |
Authors of publication | Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.; Ward, Suzanna C |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 1998 |
Pages of publication | 158 |
a | 8.869 ± 0.002 Å |
b | 8.915 ± 0.002 Å |
c | 9.962 ± 0.002 Å |
α | 90° |
β | 110.4 ± 0.03° |
γ | 90° |
Cell volume | 738.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0349 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0874 |
Weighted residual factors for all reflections included in the refinement | 0.0894 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519191.cif |
135508 | 2015-05-05 | cif/ Adding structures of 1519191 via cif-deposit CGI script. |
1519191.cif |
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Users of the data should acknowledge the original authors of the
structural data.