C-H⋯O contacts in the crystal structure of 1,3-di-thiane 1,1,3,3-tetra-oxide.

2021 
The crystal structure of 1,3-di­thiane 1,1,3,3-tetra­oxide, C4H8O4S2, has been determined to examine the inter­molecular C—H⋯O hydrogen bonds in a small mol­ecule with highly polarized hydrogen atoms. The crystals are monoclinic, space group Pn, with a = 4.9472 (5), b = 9.9021 (10), c = 7.1002 (7) A and β = 91.464 (3)° with Z = 2. The mol­ecules form two stacks parallel to the a axis with the molecules being one a translation distance from each other. This stacking involves axial hydrogen atoms on one mol­ecule and the axial oxygen atoms on the adjacent mol­ecule in the stack. None of these C—H⋯O contacts is particularly short (all are > 2.4 A). The many C—H⋯O contacts between the two stacks involve at least one equatorial hydrogen or oxygen atom. Again, no unusually short contacts are found. The whole crystal structure basically consists of a complex network of C—H⋯O contacts with no single, linear C—H⋯O contacts, only contacts that involve two (bifurcated), and mostly three or four neighbors.
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