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Information card for entry 2244234
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| Coordinates | 2244234.cif |
|---|---|
| Structure factors | 2244234.hkl |
| Original paper (by DOI) | HTML |
| Common name | (7<i>R</i>,9<i>R</i>)-<i>N</i>-[(3-nitrophenyl)sulfonyl]cytisine |
|---|---|
| Chemical name | (1<i>R</i>,5<i>R</i>)-3-((3-nitrophenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][1,5]diazocin-8-one |
| Formula | C17 H17 N3 O5 S |
| Calculated formula | C17 H17 N3 O5 S |
| SMILES | S(=O)(=O)(N1C[C@@H]2C[C@@H](c3n(c(=O)ccc3)C2)C1)c1cc(N(=O)=O)ccc1 |
| Title of publication | Syntheses, crystal structures and Hirshfeld surface analyses of <i>N</i>-aryl-sulfonyl derivatives of cytisine. |
| Authors of publication | Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 313 - 318 |
| a | 11.04 ± 0.002 Å |
| b | 6.2621 ± 0.0013 Å |
| c | 12.424 ± 0.003 Å |
| α | 90° |
| β | 94.03 ± 0.03° |
| γ | 90° |
| Cell volume | 856.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283593 (current) | 2023-05-06 | cif/ Updating files of 2244232, 2244233, 2244234 Original log message: Adding full bibliography for 2244232--2244234.cif. |
2244234.cif 2244234.hkl |
| 281865 | 2023-03-14 | cif/ hkl/ Adding structures of 2244232, 2244233, 2244234 via cif-deposit CGI script. |
2244234.cif 2244234.hkl |
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