2-[(4-Chloro-phen-yl)selan-yl]-3,4-di-hydro-2H-benzo[h]chromene-5,6-dione: crystal structure and Hirshfeld analysis.

ABSTRACT: The title organoselenium compound, C₁₉H₁₃ClO₃Se {systematic name: 2-[(4-chloro-phen-yl)selan-yl]-2H,3H,4H,5H,6H-naphtho-[1,2-b]pyran-5,6-dione}, has the substituted 2-pyranyl ring in a half-chair conformation with the methyl-ene-C atom bound to the methine-C atom being the flap atom. The dihedral angle between the two aromatic regions of the mol-ecule is 9.96?(9)° and indicates a step-like conformation. An intra-molecular Se?O inter-action of 2.8122?(13)?Å is noted. In the crystal, ?-? contacts between naphthyl rings [inter-centroid distance = 3.7213?(12)?Å] and between naphthyl and chloro-benzene rings [inter-centroid distance = 3.7715?(13)?Å], along with C-Cl??(chloro-benzene) contacts, lead to supra-molecular layers parallel to the ab plane, which are connected into a three-dimensional architecture via methyl-ene-C-H?O(carbon-yl) inter-actions. The contributions of these and other weak contacts to the Hirshfeld surface is described.

SUBMITTER: Zukerman-Schpector J 

PROVIDER: S-EPMC5458324 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature