New Advances in Chemical Research, April 2021. Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media. 122111-11-9, Name is ((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate, SMILES is O=C(OC[C@H]1OC(OS(=O)(C)=O)C(F)(F)[C@@H]1OC(C2=CC=CC=C2)=O)C3=CC=CC=C3, belongs to dioxole compound. In a document, author is Zukerman-Schpector, Julio, introduce the new discover, Category: dioxoles.
Crystal structure of 5-(1,3-dithian-2-yl)-2H-1,3-benzodioxole
In the title compound, C11H12O2S2, two independent but virtually superimposable molecules, A and B, comprise the asymmetric unit. In each molecule, the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the plane through the remaining four atoms. The substituted benzene ring occupies an equatorial position in each case and forms dihedral angles of 85.62 (9) (molecule A) and 85.69 (8)degrees (molecule B) with the least-squares plane through the 1,3-dithiane ring. The difference between the molecules rests in the conformation of the five-membered 1,3-dioxole ring which is an envelope in molecule A (the methylene C atom is the flap) and almost planar in molecule B (r.m.s. deviation = 0.046 angstrom). In the crystal, molecules of A self-associate into supramolecular zigzag chains (generated by glide symmetry along the c axis) via methylene C-H center dot center dot center dot pi interactions. Molecules of B form similar chains. The chains pack with no specific directional intermolecular interactions between them.
I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 122111-11-9 help many people in the next few years. Category: dioxoles.
Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem