A 2:1 co-crystal of 3,5-di-bromo-4-cyano-benzoic acid and anthracene.

ABSTRACT: The title co-crystal, C₈H₃Br₂NO₂·0.5C₁₄H₁₀, was self-assembled from a 2:1 mixture of the components in slowly evaporating di-chloro-methane. The mol-ecules adopt a sheet structure parallel to (1-12) in which carb-oxy hydrogen-bonded dimers and anthracene mol-ecules stagger in both dimensions. Within the sheets, six individual cyano acid mol-ecules surround each anthracene mol-ecule. Cyano acid mol-ecules form one of the two possible R₂²(10) rings between neighboring cyano and bromo groups. Compared to the di-chloro analog [Britton (2012 ▸). J. Chem. Crystallogr.42, 851-855], the dihedral angle between the best-fit planes of acid and anthracene mol-ecules has decreased from 7.1 to 0.

SUBMITTER: Noland WE 

PROVIDER: S-EPMC5683504 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature