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Information card for entry 2241931
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| Coordinates | 2241931.cif |
|---|---|
| Structure factors | 2241931.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole |
|---|---|
| Formula | C27 H18 N2 O4 S2 |
| Calculated formula | C27 H18 N2 O4 S2 |
| SMILES | c12ccccc1c1c(cc3c(c1c1ccc(cc1)N(=O)=O)cc(C)s3)n2S(=O)(=O)c1ccccc1 |
| Title of publication | Crystal structures of two new carbazole derivatives: 12-(4-nitrophenyl)-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole and 2-methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole |
| Authors of publication | Swaminathan, K.; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1739 - 1743 |
| a | 12.5052 ± 0.0008 Å |
| b | 11.2594 ± 0.0006 Å |
| c | 17.0731 ± 0.0009 Å |
| α | 90° |
| β | 102.914 ± 0.002° |
| γ | 90° |
| Cell volume | 2343.1 ± 0.2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187837 (current) | 2016-11-05 | cif/ hkl/ Adding structures of 2241930, 2241931 via cif-deposit CGI script. |
2241931.cif 2241931.hkl |
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