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Information card for entry 2238348
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| Coordinates | 2238348.cif |
|---|---|
| Structure factors | 2238348.hkl |
| Original IUCr paper | HTML |
| Common name | 2-Quinolinesulfonamide |
|---|---|
| Formula | C9 H8 N2 O2 S |
| Calculated formula | C9 H8 N2 O2 S |
| SMILES | NS(=O)(=O)c1ccc2c(n1)cccc2 |
| Title of publication | Quinoline-2-sulfonamide |
| Authors of publication | Marciniec, Krzysztof; Maślankiewicz, Andrzej; Kusz, Joachim; Nowak, Maria |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1357 - o1358 |
| a | 8.5907 ± 0.0001 Å |
| b | 5.1716 ± 0.0001 Å |
| c | 20.0375 ± 0.0003 Å |
| α | 90° |
| β | 94.23 ± 0.001° |
| γ | 90° |
| Cell volume | 887.79 ± 0.02 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0299 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0722 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238348.cif 2238348.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238348.cif 2238348.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238348.cif 2238348.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238348.cif 2238348.hkl |
| 88189 | 2013-09-04 | cif/ Adding structures of 2238348 via cif-deposit CGI script. |
2238348.cif |
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