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2-Oxo-2-(2-oxo-2H-chromen-3-yl)ethyl di-ethyl-dithio-carbamate.

ABSTRACT: In the title compound, C16H17NO3S2, the dihedral angles between the O/C/C/S group and the 2H-chromene ring system and the thio-carbamate group are 14.46?(9) and 83.30?(9)°, respectively. The bond-angle sum at the N atom is 360.0°. One of the methyl C atoms lies above the thio-carbamate plane and one lies below it [deviations = 1.264?(3) and -1.147?(3)?Å, respectively]. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R 2 (2)(10) loops. Weak aromatic ?-? stacking inter-actions [shortest centroid-centroid distance = 3.8138?(11)?Å] are also observed.

SUBMITTER: Meenakshi TG

PROVIDER: S-EPMC3884423 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2-Oxo-2-(2-oxo-2H-chromen-3-yl)ethyl di-ethyl-dithio-carbamate.

Meenakshi T G TG Devarajegowda H C HC Kumar K Mahesh KM Kotresh O O Devaru Venkatesh B VB

Acta crystallographica. Section E, Structure reports online 20130821 Pt 9

In the title compound, C16H17NO3S2, the dihedral angles between the O/C/C/S group and the 2H-chromene ring system and the thio-carbamate group are 14.46 (9) and 83.30 (9)°, respectively. The bond-angle sum at the N atom is 360.0°. One of the methyl C atoms lies above the thio-carbamate plane and one lies below it [deviations = 1.264 (3) and -1.147 (3) Å, respectively]. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R 2 (2)(10) loops. Weak aromatic π-π stacking ...[more]

PMID: 24427080

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