Crystal structure of 6-(p-tol-yl)benzo[b]naphtho[2,3-d]thio-phene and of an ortho-rhom-bic polymorph of 7-phenyl-anthra[2,3-b]benzo[d]thio-phene.

ABSTRACT: The title compounds, C₂₃H₁₆S, (I), and C₂₆H₁₆S, (II), are benzo-thio-phene derivatives in which the benzo-thio-phene moiety is fused with a naphthalene ring system in (I), and with an anthracene ring system in (II). In (I), the mean plane of the benzo-thio-phene ring system makes a dihedral angle of 2.28?(6)° with the naphthalene ring system, and a dihedral angle of 1.28?(6)° with the anthracene ring system in (II), showing that the fused units are essentially planar. In (I), the 4-methyl-benzene ring substituent makes a dihedral angle of 71.40?(9)° with the naphthalene ring system, while the phenyl ring substituent in (II) makes a dihedral angle of 67.08?(12)° with the anthracene ring system. In the crystals of both compounds, mol-ecules are linked by C-H?? inter-actions, leading to the formation of slabs parallel to (001) in (I) and to zigzag chains along [001] in (II). There are also offset ?-? inter-actions present within the slabs in (I). In the crystal of (II), they link the chains, forming sheets parallel to (010). The triclinic polymorph of compound (II) has been reported [Sivasakthikumaran et al., (2012 ?). J. Org. Chem.77, 9053-9071].

SUBMITTER: Gopinath S 

PROVIDER: S-EPMC5120714 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature