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Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thia-zepan-4-ones. | LitMetric
The crystal of 6-(3-nitro-phen-yl)-7-phenyl-5-thia-7-aza-spiro-[2.6]nonan-8-one (), CHNOS, has monoclinic (2/) symmetry while that of its isomer 6-(4-nitro-phen-yl)-7-phenyl-5-thia-7-aza-spiro-[2.6]nonan-8-one (), has ortho-rhom-bic (2) symmetry: compound has two mol-ecules, and , in the asymmetric unit while has one. In all three mol-ecules, the seven-membered thia-zepan ring exhibits a chair conformation with 2 and 3 values (Å) of 0.521 (3), 0.735 (3) and 0.485 (3), 0.749 (3) in and 0.517 (5), 0.699 (5) in . In each structure, the phenyl rings attached to adjacent atoms of the thia-zepan ring have inter-planar angles ranging between 41 and 47°. Except for the nitro groups, the three mol-ecules have similar conformations when overlayed in pairs. Both crystal structures are consolidated by C-H⋯O hydrogen bonds.
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