Comparison of the C-H⋯O bonding in two crystalline phases of 1,4-di-thiane 1,1,4,4-tetra-oxide.

ABSTRACT: The crystal structures of two crystalline phases of 1,4-di-thiane 1,1,4,4-tetra-oxide, C4H8O4S2, have been determined in order to examine the nature of possible inter-molecular hydrogen bonds. Phase 1 is monoclinic, space group C2/m, with unit-cell dimensions of a = 9.073 (8), b = 7.077 (6), c = 5.597 (5) Å and β = 105.89 (1)°. The mol-ecule adopts 2/m symmetry and all of the mol-ecules are related by translation and thus have the same orientation. Phase 2 is also monoclinic but in space group P21/n with unit-cell dimensions of a = 7.1305 (5), b = 5.7245 (4), c = 8.3760 (6) Å and β = 91.138 (2)°. In this phase, the mol-ecule sits on an inversion center and the mol-ecules within the unit cell adopt quite different orientations. In both phases, examination of the potential C-H⋯O hydrogen bon

SUBMITTER: Harlow RL 

PROVIDER: S-EPMC6505583 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature