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(6-Meth-oxy-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithio-ate.

ABSTRACT: In the title compound, C(16)H(17)NO(3)S(2), the 2H-chromene ring is close to being planar [maximum deviation = 0.034?(2)?Å] and the pyrrolidine ring is twisted about the C-C bond opposite the N atom. The dihedral angle between the ring-system planes is 75.24?(16)° and an intra-molecular C-H?S inter-action occurs. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds and the packing also exhibits ?-? inter-actions, with a distance of 3.6106?(13)?Å between the centroids of the benzene rings of neighbouring mol-ecules.

SUBMITTER: Mahabaleshwaraiah NM

PROVIDER: S-EPMC3344662 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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(6-Meth-oxy-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithio-ate.

Mahabaleshwaraiah N M NM Kumar K Mahesh KM Kotresh O O Al-Eryani Waleed Fadl Ali WF Devarajegowda H C HC

Acta crystallographica. Section E, Structure reports online 20120428 Pt 5

In the title compound, C(16)H(17)NO(3)S(2), the 2H-chromene ring is close to being planar [maximum deviation = 0.034 (2) Å] and the pyrrolidine ring is twisted about the C-C bond opposite the N atom. The dihedral angle between the ring-system planes is 75.24 (16)° and an intra-molecular C-H⋯S inter-action occurs. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and the packing also exhibits π-π inter-actions, with a distance of 3.6106 (13) Å between the centroids of the benzene ring ...[more]

PMID: 22590424

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