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1''-Allyl-5''-(4-meth-oxy-benzyl-idene)-7'-(4-methoxy-phen-yl)-1',3',5',6',7',7a'-hexa-hydro-dispiro-[ace-naphthyl-ene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-piperidine]-2,4''(1H)-dione.

ABSTRACT: In the title compound, C39H36N2O4S, the piperidine ring adopts a twisted half-chair conformation. In the pyrrolo-thia-zole fused-ring system, the pyrrole ring adopts an envelope conformation (with the C atom bound to the thia-zole ring being the flap atom) and the thia-zole ring also exhibits an envelope conformation (with the N atom bound to the pyrrole ring as the flap). The mol-ecular structure features a weak intra-molecular C-H?O inter-action. In the crystal, a C-H?O inter-action forms a linear chain along the diagonal of the ac plane, generating a C(14) graph-set motif. A weak C-H?? inter-action also occurs.

SUBMITTER: Almansour AI 

PROVIDER: S-EPMC3793825 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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1''-Allyl-5''-(4-meth-oxy-benzyl-idene)-7'-(4-methoxy-phen-yl)-1',3',5',6',7',7a'-hexa-hydro-dispiro-[ace-naphthyl-ene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-piperidine]-2,4''(1H)-dione.

Almansour Abulrahman I AI   Suresh Kumar Raju R   Arumugam Natarajan N   Nagalakshmi R A RA   Suresh J J  

Acta crystallographica. Section E, Structure reports online 20130727 Pt 8

In the title compound, C39H36N2O4S, the piperidine ring adopts a twisted half-chair conformation. In the pyrrolo-thia-zole fused-ring system, the pyrrole ring adopts an envelope conformation (with the C atom bound to the thia-zole ring being the flap atom) and the thia-zole ring also exhibits an envelope conformation (with the N atom bound to the pyrrole ring as the flap). The mol-ecular structure features a weak intra-molecular C-H⋯O inter-action. In the crystal, a C-H⋯O inter-action forms a li  ...[more]