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Information card for entry 2238991
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| Coordinates | 2238991.cif |
|---|---|
| Structure factors | 2238991.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(4-Methoxybenzoyl)benzenesulfonamide |
|---|---|
| Formula | C14 H13 N O4 S |
| Calculated formula | C14 H13 N O4 S |
| SMILES | O=S(=O)(NC(=O)c1ccc(OC)cc1)c1ccccc1 |
| Title of publication | <i>N</i>-(4-Methoxybenzoyl)benzenesulfonamide |
| Authors of publication | Sreenivasa, S.; Nanjundaswamy, M. S.; Madankumar, S.; Lokanath, N. K.; Suresha, E.; Suchetan, P. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o192 |
| a | 5.3059 ± 0.0005 Å |
| b | 10.6343 ± 0.001 Å |
| c | 11.9139 ± 0.0011 Å |
| α | 89.792 ± 0.003° |
| β | 87.392 ± 0.003° |
| γ | 83.944 ± 0.003° |
| Cell volume | 667.79 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0689 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.157 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181889 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89. |
2238991.cif 2238991.hkl |
| 181308 | 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 2/23/89. |
2238991.cif 2238991.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. |
2238991.cif 2238991.hkl |
| 104823 | 2014-03-11 | cif/ hkl/ Adding structures of 2238991 via cif-deposit CGI script. |
2238991.cif 2238991.hkl |
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