- Restrictions on Access:
- Open Access Unrestricted online access
- "The crystal of 6-(3-nitrophenyl)-7-phenyl-5-thia-7-azaspiro[2.6]nonan-8-one (1), C<sub>19</sub>H<sub>18</sub>N<sub>2</sub>O<sub>3</sub>S, has monoclinic (P2<sub>1</sub>/n) symmetry while that of its isomer 6-(4-nitrophenyl)-7-phenyl-5-thia-7-azaspiro[2.6]nonan-8-one (2), has orthorhombic (Pca2<sub>1</sub>) symmetry: compound 1 has two molecules, A and B, in the asymmetric unit while 2 has one. In all three molecules, the seven-membered thiazepan ring exhibits a chair conformation with Q2 and Q3 values (Å) of 0.521 (3), 0.735 (3) and 0.485 (3), 0.749 (3) in 1 and 0.517 (5), 0.699 (5) in 2. In each structure, the phenyl rings attached to adjacent atoms of the thiazepan ring have interplanar angles ranging between 41 and 47∘. Except for the nitro groups, the three molecules have similar conformations when overlayed in pairs. Both crystal structures are consolidated by C-H∙ ∙ ∙O hydrogen bonds."
- Penn State Faculty and Staff Researcher Metadata Database Collection.
- Academic Journal Article
View MARC record | catkey: 31199972