| Autor: |
Harlow RL; 624 Erlen Rd., Plymouth Meeting, PA 19462 , USA., Oliver AG; Dept. of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556-5670, USA., Sammes MP; 2 Baydons Lane, Chippenham SN15 3JX, UK. |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2021 Jan 29; Vol. 77 (Pt 2), pp. 204-207. Date of Electronic Publication: 2021 Jan 29 (Print Publication: 2021). |
| DOI: |
10.1107/S2056989021000876 |
| Abstrakt: |
The crystal structure of 1,3-di-thiane 1,1,3,3-tetra-oxide, C 4 H 8 O 4 S 2 , has been determined to examine the inter-molecular C-H⋯O hydrogen bonds in a small mol-ecule with highly polarized hydrogen atoms. The crystals are monoclinic, space group P n, with a = 4.9472 (5), b = 9.9021 (10), c = 7.1002 (7) Å and β = 91.464 (3)° with Z = 2. The mol-ecules 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 mol-ecule and the axial oxygen atoms on the adjacent mol-ecule 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.
(© Harlow et al. 2021.) |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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