Synthesis and crystal structure of racemic (*,*)-2,2'-(1,4-phenyl-ene)bis-(3-phenyl-2,3,5,6-tetra-hydro-4-1,3-thia-zin-4-one).

Acta Crystallogr E Crystallogr Commun

Pennsylvania State University, Schuylkill Campus, 200 University Drive, Schuylkill Haven, PA 17972, USA.

Published: December 2021

In the racemic title compound, CHNOS, one of the thia-zine rings shows a twisted boat conformation ( = 0.743 Å, θ = 92.1°) and the other a half-chair puckering ( = 0.669 Å, θ = 54.3°). The terminal phenyl rings are almost parallel to each other [dihedral angle 21.71 (10)°]. Both of these rings are orthogonal to the central phenyl ring, subtending a dihedral angle of about 78° in each case. The extended structure is consolidated by C-H⋯O and C-H⋯S hydrogen bonds as well as aromatic ring inter-actions of parallel-displaced and T-type. The mol-ecule has approximate 2 local symmetry but this is not carried over to its three-dimensional structure or the inter-molecular inter-actions.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8647733PMC
http://dx.doi.org/10.1107/S2056989021011592DOI Listing

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