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Information card for entry 2240192
Preview
| Coordinates | 2240192.cif |
|---|---|
| Structure factors | 2240192.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-(2,4-Dichlorophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde |
|---|---|
| Formula | C25 H15 Cl2 N O4 S |
| Calculated formula | C25 H15 Cl2 N O4 S |
| SMILES | c1(ccccc1)S(=O)(=O)n1c2ccccc2c2c(c(c(cc12)c1ccc(cc1Cl)Cl)C=O)O |
| Title of publication | Crystal structure of 2-(2,4-dichlorophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde |
| Authors of publication | Umadevi, M.; Ramalingam, B. M.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 466 - 468 |
| a | 8.0688 ± 0.0004 Å |
| b | 9.9086 ± 0.0005 Å |
| c | 14.4041 ± 0.0008 Å |
| α | 75.297 ± 0.003° |
| β | 80.604 ± 0.002° |
| γ | 74.306 ± 0.003° |
| Cell volume | 1066.83 ± 0.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1113 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240192.cif 2240192.hkl |
| 181901 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240192.cif 2240192.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240192.cif 2240192.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240192.cif 2240192.hkl |
| 126953 | 2014-11-12 | cif/ hkl/ Adding structures of 2240192 via cif-deposit CGI script. |
2240192.cif 2240192.hkl |
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Users of the data should acknowledge the original authors of the
structural data.