Crystal structures of 4-methyl-2-oxo-2H-chromene-7,8-diyl di-acetate and 4-methyl-2-oxo-2H-chromene-7,8-diyl bis-(pent-4-ynoate).

ABSTRACT: In the structures of the two title coumarin derivatives, C14H12O6, (1), and C20H16O6, (2), one with acetate and the other with pent-4-ynoate substituents, both the coumarin rings are almost planar. In (1), both acetate substituents are significantly rotated out of the coumarin plane to minimize steric repulsions. One acetate substituent is disordered over two equivalent conformations, with occupancies of 0.755 (17) and 0.245 (17). In (2), there are two pent-4-ynoate substituents, the C C group of one being disordered over two positions with occupancies of 0.55 (2) and 0.45 (2). One of the pent-4-ynoate substituents is in an extended conformation, while the other is in a bent conformation. In this derivative, the planar part of both pent-4-ynoate substituents deviate from the coumarin plane

SUBMITTER: Akinyemi A 

PROVIDER: S-EPMC4908516 | biostudies-literature | 2016 May

REPOSITORIES: biostudies-literature