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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.

  • Gopinath S Department of Physics, RKM Vivekananda College (Autonomous), Chennai 600 004, India.
  • Sethusankar K Department of Physics, RKM Vivekananda College (Autonomous), Chennai 600 004, India.
  • Stoeckli-Evans H University of Neuchâtel, Institute of Physics, Rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland.
  • Rafiq M Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India.
  • Mohanakrishnan AK Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India.
  • 2016-12-07
Published in:
  • Acta crystallographica. Section E, Crystallographic communications. - 2016
C—H⋯π inter­actions
anthra[2,3-b]benzo[d]thio­phene
benzo[b]naphtho­[2,3-d]thio­phene
benzo­thio­phene
crystal structure
offset π–π inter­actions
English 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⋯π 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 π-π 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].
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  • English
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gold
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https://sonar.ch/global/documents/125609
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