Tetra-kis{2,4-bis-[(1-oxo-2-pyridyl)-sulfanyl-methyl]mesitylene} acetone hemisolvate 11.5-hydrate.

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?? inter-actions. Some short intra-molecular S?O contacts are apparent [2.684?(4)-2.702?(4)?Å].

SUBMITTER: Ravindran Durai Nayagam B 

PROVIDER: S-EPMC2968049 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature