Crystal structure of 2-(5-bromo-2-hy-droxy-benzyl-idene)-2,3-di-hydro-1H-indene-1,3-dione.

ABSTRACT: The title mol-ecule, C16H9BrO3, deviates slightly from planarity. The benzene ring makes a dihedral angle of 1.02?(9)° with the plane defined by the five-membered ring of the indandione moiety. The latter exhibits a minute twist indicated by the dihedral angle of 0.47?(9)° between the planes of the five- and six-membered rings. An intra-molecular C-H?O hydrogen bond between the attached benzene ring with one of the indandione carbonyl O atoms stabilizes the mol-ecular conformation. In the crystal, the mol-ecules form dimers across centres of inversion via pairwise O-H?O hydrogen bonds. The dimers form stacks running parallel to [010] and inter-act through ?-? inter-actions between the five-membered ring of one mol-ecule and the six-membered rings of the indandione moiety of an adjacent mol-ecule [centroid-to-centroid distance = 3.5454?(10)?Å].

SUBMITTER: Mague JT 

PROVIDER: S-EPMC4420123 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature