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Information card for entry 2238364
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| Coordinates | 2238364.cif |
|---|---|
| Structure factors | 2238364.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Chloro-<i>N</i>-(3-methoxybenzoyl)benzenesulfonamide |
|---|---|
| Formula | C14 H12 Cl N O4 S |
| Calculated formula | C14 H12 Cl N O4 S |
| SMILES | COc1cccc(c1)C(=O)NS(=O)(=O)c1ccccc1Cl |
| Title of publication | 2-Chloro-<i>N</i>-(3-methoxybenzoyl)benzenesulfonamide |
| Authors of publication | Suchetan, P. A.; Palakshamurthy, B. S.; Mamatha, G. R.; Kumar, Vijith; Mohan, N. R.; Sreenivasa, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1215 |
| a | 7.5731 ± 0.0005 Å |
| b | 10.1861 ± 0.0005 Å |
| c | 10.3636 ± 0.0006 Å |
| α | 94.945 ± 0.004° |
| β | 96.581 ± 0.005° |
| γ | 110.974 ± 0.005° |
| Cell volume | 734.56 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
2238364.cif 2238364.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. |
2238364.cif 2238364.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238364.cif 2238364.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238364.cif 2238364.hkl |
| 88206 | 2013-09-04 | cif/ Adding structures of 2238364 via cif-deposit CGI script. |
2238364.cif |
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