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Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate.

ABSTRACT: In the title compound, C28H19F3O4S, a new 2'-benz-yloxy (R)-BINOL derivative containing a tri-fluoro-methane-sulfonate group in the 2-position, the planes of the two naphthyl ring systems (r.m.s. deviations = 0.012 and 0.019?Å) are at an angle of 73.36?(2)°, and the planes of the benzyl ring and the naphthyl ring system bound to the ether O atom are at an angle of 75.67?(4)°. In the crystal, mol-ecules are linked via C-H?F hydrogen bonds, forming chains propagating along [100]. The chains are linked via a weak C-F?? inter-action and weak ?-? inter-actions [shortest inter-centroid distance = 3.9158?(12)?Å], forming a three-dimensional structure. The absolute structure of the mol-ecule in the crystal was determined by resonant scattering [Flack parameter = 0.02?(6)].

SUBMITTER: Carrilho RM

PROVIDER: S-EPMC4257171 | biostudies-other | 2014 Oct

REPOSITORIES: biostudies-other

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Crystal structure of (R)-2'-benz-yloxy-[1,1'-binaphthalen]-2-yl tri-fluoro-methane-sulfonate.

Carrilho Rui M B RM Pereira Mariette M MM Maria Teresa M R TM Eusébio M Ermelinda S ME Rodrigues V H VH

Acta crystallographica. Section E, Structure reports online 20140910 Pt 10

In the title compound, C28H19F3O4S, a new 2'-benz-yloxy (R)-BINOL derivative containing a tri-fluoro-methane-sulfonate group in the 2-position, the planes of the two naphthyl ring systems (r.m.s. deviations = 0.012 and 0.019 Å) are at an angle of 73.36 (2)°, and the planes of the benzyl ring and the naphthyl ring system bound to the ether O atom are at an angle of 75.67 (4)°. In the crystal, mol-ecules are linked via C-H⋯F hydrogen bonds, forming chains propagating along [100]. The chains are li ...[more]

PMID: 25484691

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