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Crystal structure of ethyl (2S,2'R)-1'-benzyl-3-oxo-3H-di-spiro-[1-benzo-thio-phene-2,3'-pyrrolidine-2',11''-indeno[1,2-b]quinoxaline]-4'-carboxyl-ate.

ABSTRACT: In the title compound, C35H27N3O3S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5?(1) and 77.4?(9)° with the benzo-thio-phene ring system and the quinoxaline ring system, respectively. The S atom and C=O unit of the benzo-thio-phene ring system are disordered over two opposite orientations in a 0.768?(4):0.232?(4) ratio. The atoms of the ethyl side chain are disordered over two sets of sites in a 0.680?(16):0.320?(16) ratio. In the crystal, mol-ecules are linked by C-H?O, C-H?N and ?-? inter-actions [shortest centroid-centroid distance = 3.4145?(19)?Å], resulting in a three-dimensional network.

SUBMITTER: Govindaraj J

PROVIDER: S-EPMC4350717 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl (2S,2'R)-1'-benzyl-3-oxo-3H-di-spiro-[1-benzo-thio-phene-2,3'-pyrrolidine-2',11''-indeno[1,2-b]quinoxaline]-4'-carboxyl-ate.

Govindaraj J J Raja R R Suresh M M Raghunathan R R SubbiahPandi A A

Acta crystallographica. Section E, Crystallographic communications 20150221 Pt 3

In the title compound, C35H27N3O3S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5 (1) and 77.4 (9)° with the benzo-thio-phene ring system and the quinoxaline ring system, respectively. The S atom and C=O unit of the benzo-thio-phene ring system are disordered over two opposite orientations in a 0.768 (4):0.232 (4) ratio. The atoms of the ethyl side chain are disordered over two sets of sites in a 0.680 (16):0.320 (16) ra ...[more]

PMID: 25844245

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