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Information card for entry 2239621
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| Coordinates | 2239621.cif |
|---|---|
| Structure factors | 2239621.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-{[4-(Dimethylamino)benzylidene]amino}benzenesulfonamide |
|---|---|
| Formula | C15 H17 N3 O2 S |
| Calculated formula | C15 H17 N3 O2 S |
| SMILES | CN(c1ccc(cc1)/C=N/c1ccc(cc1)S(=O)(=O)N)C |
| Title of publication | 4-{[4-(Dimethylamino)benzylidene]amino}benzenesulfonamide |
| Authors of publication | Durgun, Mustafa; Türkmen, Hasan; Tunç, Tuncay; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o726 - o727 |
| a | 16.8982 ± 0.0005 Å |
| b | 9.0273 ± 0.0003 Å |
| c | 9.8405 ± 0.0003 Å |
| α | 90° |
| β | 101.552 ± 0.003° |
| γ | 90° |
| Cell volume | 1470.71 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0474 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239621.cif 2239621.hkl |
| 181315 | 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 2/23/96. |
2239621.cif 2239621.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. |
2239621.cif 2239621.hkl |
| 115038 | 2014-06-02 | cif/ hkl/ Adding structures of 2239621 via cif-deposit CGI script. |
2239621.cif 2239621.hkl |
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Users of the data should acknowledge the original authors of the
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