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Crystal structure of 4,5-dimethyl-1,3-dioxol-2-one.

Chandru P ChandrasekaranJames P Donahue
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
The planar title compound 4,5-dimethyl-1,3-dioxol-2-one, C 5 H 6 O 3 , 1 , crystallizes with its mol-ecular C 2 axis coincident with a crystallographic mirror plane in space group P 2 1 / m . In the plane defined by the b axis and an ac face diagonal, anti-parallel linear strands of 1 , formed by simple translation, associate to form sheets with close H⋯H and O⋯O inter-molecular contacts. Between the sheets, parallel strands of 1 place the carbonyl O atom near the five-membered ring centroid of a neighboring mol-ecule with close O⋯O and O⋯C contacts.
Keyphrases
  • molecular dynamics
  • single molecule