Crystal structure of meso -3,3′-(1,4-phenylene)bis(2-phenyl-2,3,5,6-tetrahydro-4 H -1,3-thiazin-4-one)

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The crystal structure of the title compound - meso-C 26 H 24 N 2 O 2 S 2 with two stereocenters - has half the molecule in the asymmetric unit with the other half generated by a crystallographic center of inversion. The thiazine ring is in a conformation that is between half-chair and envelope [θ = 52.51 (17)°]. The phenyl ring on the 2-carbon atom of the thiazine ring is pseudo-axial. The central phenyl ring of the molecule is close to orthogonal to the phenyl rings on either side with an angle of 76.85 (11)° between those planes. In the crystal, pairwise, weak C - H⋯O hydrogen bonds between the central phenyl ring and the oxygen atoms of neighboring molecules result in continuous strips propagating along the a-axis direction. Hydrophobic interactions of the C - H⋯π type are also observed.

Original languageEnglish (US)
Pages (from-to)1497-1499
Number of pages3
JournalActa Crystallographica Section E: Crystallographic Communications
StatePublished - 2018

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics


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