Tetra-kis{2,4-bis-[(1-oxo-2-pyridyl)-sulfanyl-methyl]mesitylene} acetone hemisolvate 11.5-hydrate
Ravindran Durai Nayagam, B; Jebas, SR; Selvarathy Grace, P; Schollmeyer, D
| HERO ID | 1530519 |
|---|---|
| In Press | No |
| Year | 2009 |
| Title | Tetra-kis{2,4-bis-[(1-oxo-2-pyridyl)-sulfanyl-methyl]mesitylene} acetone hemisolvate 11.5-hydrate |
| Authors | Ravindran Durai Nayagam, B; Jebas, SR; Selvarathy Grace, P; Schollmeyer, D |
| Journal | Acta Crystallographica. Section E: Structure Reports Online |
| Volume | E65 |
| Issue | Pt 1 |
| Page Numbers | o129-o130 |
| Abstract | In the crystal structure of the title compound, 4C(21)H(22)N(2)O(2)S(2)·0.5C(3)H(6)O·11.5H(2)O, there are four crystallographically independent mol-ecules (A, B, C, D) with similar geometries, 11 water mol-ecules and a solvent acetone mol-ecule which is disordered with a water mol-ecule with occupancy factors of 0.5:0.5. The dihedral angles formed by the mesitylene ring with the two pyridyl rings are 82.07 (3) and 78.39 (3)° in mol-ecule A, 86.20 (3) and 82.29 (3)° in mol-ecule B, 81.05 (3) and 76.0 (4)° in mol-ecule C, 86.0 (3) and 80.9 (3)° in moleule D. The two pyridyl rings form dihedral angles of 41.17 (4), 64.01 (3), 81.9 (3) and 82.25 (3)° in mol-ecules A, B, C and D, respectively. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds and possible weak C-H⋯π inter-actions. Some short intra-molecular S⋯O contacts are apparent [2.684 (4)-2.702 (4) Å]. |
| Doi | 10.1107/S1600536808040233 |
| Pmid | 21581590 |
| Wosid | WOS:000262234500208 |
| Is Certified Translation | No |
| Dupe Override | No |
| Is Public | Yes |
| Language Text | English |
| Keyword | ORGANIC compounds -- Research; mesitylene; acetone; crystallography; molecules; data-toparameter ratio = 19.4; disorder in solvent or counterion; mean (C-C) = 0.009; R factor = 0.094; single-crystal X-ray study; t = 173 k; wR factor = 0.330 |
| Relationship(s) |
|