Two polymorphs of 2-(prop-2-yn-1-yl-oxy)naphthalene-1,4-dione: solvent-dependent crystallization.

ABSTRACT: The title compound, C₁₃H₈O₃, crystallizes in two polymorphs, namely the monoclinic (space group P2₁/c) and triclinic (space group Pī) forms, obtained from N,N-di-methyl-formamide and isopropyl alcohol solutions, respectively. The mol-ecular structures and conformations in the two forms are essentially the same as each other. The naphtho-quinone ring systems are essentially planar with r.m.s. deviations of 0.015 and 0.029 Å for the monoclinic and triclinic forms, respectively. The O-propargyl groups are coplanar with the naphtho-quinone units with r.m.s deviations ranging from 0.04 to 0.09 Å. In the monoclinic crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming a tape structure

SUBMITTER: Melo Ottoni F 

PROVIDER: S-EPMC6281128 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature