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Information card for entry 2238176
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| Coordinates | 2238176.cif |
|---|---|
| Structure factors | 2238176.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide |
|---|---|
| Formula | C13 H9 Cl N2 O5 S |
| Calculated formula | C13 H9 Cl N2 O5 S |
| SMILES | Clc1c(cccc1)S(=O)(=O)NC(=O)c1cc(N(=O)=O)ccc1 |
| Title of publication | <i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide |
| Authors of publication | Sreenivasa, S.; Darshan, D.; Lohith, T. N.; Mamatha, G. R.; Palakshamurthy, B. S.; Suchetan, P. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1090 |
| a | 12.29 ± 0.008 Å |
| b | 13.548 ± 0.009 Å |
| c | 17.24 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2871 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (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 2/23/81. |
2238176.cif 2238176.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. |
2238176.cif 2238176.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238176.cif 2238176.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238176.cif 2238176.hkl |
| 87423 | 2013-08-27 | cif/ Adding structures of 2238176 via cif-deposit CGI script. |
2238176.cif |
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Users of the data should acknowledge the original authors of the
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