Title of article :
C—H⋯O contacts in the crystal structure of 1,3-di­thiane 1,1,3,3-tetra­oxide
Author/Authors :
Harlow, Richard L. 624 Erlen Rd - Plymouth Meeting, PA 19462 , USA , Oliver, Allen G. Dept. of Chemistry and Biochemistry - University of Notre Dame, USA , Sammes, Michael P. 2 Baydons Lane - Chippenham SN15 3JX, UK
Pages :
8
From page :
1
To page :
8
Abstract :
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) Å 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 Å). 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.
Keywords :
crystal structure , 1,3-di­thiane 1,1,3,3,-tetra­oxide , C—H⋯O contacts
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2021
Full Text URL :
Record number :
2622909
Link To Document :
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