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7'-(2,5-Dimeth-oxy-phen-yl)-1',3',5',6',7',7a'-hexa-hydro-dispiro-[indan-2,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',2''-indan]-1,3,1''-trione.

ABSTRACT: In the title compound, C(30)H(25)NO(5)S, all the five-membered rings are in envelope conformations with the spiro and methylene C atoms as the flap atoms. Intra-molecular C-H?O inter-actions stabilize the mol-ecular structure and form S(6) and S(7) ring motifs. The mean plane through the hexa-hydro-pyrrolo-[1,2-c]thia-zole ring [r.m.s deviation of 0.0393?(1)?Å] makes dihedral angles of 60.92?(5), 88.33?(4) and 84.12?(4)° with the terminal benzene ring and the mean planes of the mono and di-oxo substituted indan rings, respectively. Mol-ecules are linked by inter-molecular C-H?O inter-actions into a three-dimensional network. In addition, C-H?? and ?-? inter-actions [centroid-to-centroid distance = 3.4084?(8)?Å] further stabilize the crystal structure.

SUBMITTER: Wei AC

PROVIDER: S-EPMC3297291 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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7'-(2,5-Dimeth-oxy-phen-yl)-1',3',5',6',7',7a'-hexa-hydro-dispiro-[indan-2,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',2''-indan]-1,3,1''-trione.

Wei Ang Chee AC Ali Mohamed Ashraf MA Choon Tan Soo TS Razak Ibrahim Abdul IA Arshad Suhana S

Acta crystallographica. Section E, Structure reports online 20120204 Pt 3

In the title compound, C(30)H(25)NO(5)S, all the five-membered rings are in envelope conformations with the spiro and methylene C atoms as the flap atoms. Intra-molecular C-H⋯O inter-actions stabilize the mol-ecular structure and form S(6) and S(7) ring motifs. The mean plane through the hexa-hydro-pyrrolo-[1,2-c]thia-zole ring [r.m.s deviation of 0.0393 (1) Å] makes dihedral angles of 60.92 (5), 88.33 (4) and 84.12 (4)° with the terminal benzene ring and the mean planes of the mono and di-oxo s ...[more]

PMID: 22412481

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7'-(4-Bromo-phen-yl)-5',6',7',7a'-tetra-hydro-dispiro-[indan-2,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',2''-indan]-1,3,1''-trione.

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Project description:In the title compound, C(27)H(20)BrNO(3), two intra-molecular C-H?O hydrogen bonds both form S(6) rings. The pyrrolidine ring adopts a twisted conformation about the C-C bond bearing the indane ring systems. The other two five-membered rings within the indane systems are in shallow envelope conformations, with the spiro C atoms as the flap atoms. The mean plane of the pyrrolidine ring [maximum deviation = 0.275?(1)?Å] makes dihedral angles of 65.25?(7), 78.33?(6) and 75.25?(6)° with the bromo-substituted benzene ring and the mean planes of the mono- and dioxo-substituted indane rings, respectively. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds into a three-dimensional network. In addition, C-H?? inter-actions are observed.

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