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Information card for entry 2241017
Preview
| Coordinates | 2241017.cif |
|---|---|
| Structure factors | 2241017.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Phenylsulfonyl-3<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-1(2<i>H</i>)-one |
|---|---|
| Formula | C17 H13 N O3 S |
| Calculated formula | C17 H13 N O3 S |
| SMILES | c12ccccc1c1c(CCC1=O)n2S(=O)(=O)c1ccccc1 |
| Title of publication | Crystal structures of three indole derivatives: 3-ethnyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole, 4-phenylsulfonyl-3<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-1(2<i>H</i>)-one and 1-{2-[(<i>E</i>)-2-(5-chloro-2-nitrophenyl)ethenyl]-1-phenylsulfonyl-1<i>H</i>-indol-3-yl}ethan-1-one chloroform monosolvate |
| Authors of publication | Gopinath, S.; Sethusankar, K.; Ramalingam, Bose Muthu; Mohanakrishnan, Arasambattu K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | 1036 - 1041 |
| a | 9.8708 ± 0.0006 Å |
| b | 12.3914 ± 0.0007 Å |
| c | 13.1457 ± 0.0012 Å |
| α | 102.706 ± 0.003° |
| β | 96.552 ± 0.003° |
| γ | 111.989 ± 0.002° |
| Cell volume | 1419.7 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241017.cif 2241017.hkl |
| 153463 | 2015-08-16 | cif/ hkl/ Adding structures of 2241016, 2241017, 2241018 via cif-deposit CGI script. |
2241017.cif 2241017.hkl |
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