2-Oxo-2-(2-oxo-2H-chromen-3-yl)ethyl diethyldithiocarbamate

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2-Oxo-2-(2-oxo-2H-chromen-3-yl)ethyl di­ethyl­dithio­carbamate

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There are two independent mol-ecules in the asymmetric unit of the title compound, C16H15NO3S2, in which the pyrrolidine rings adopt envelope conformations, with a methyl-ene C atom as the flap. The dihedral angles betweeen the near-planar 2H-chromene ring systems [maximum deviations = 0.0167 (20) and 0.0136 (19) Å] and the pyrrolidine rings (all atoms) are 83.83 (11) and 82.43 (11)°. In the cr...

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The phenyl ring in title mol-ecule, C(16)H(11)NO(3), forms a dihedral angle of 7.69 (6)° with the fused ring system. The observed conformation is stabilized by intra-molecular N-H⋯O and C-H⋯O inter-actions. In the crystal, supra-molecular chains are formed along the b axis which are mediated by π-π inter-actions [centroid-centroid distance = 3.614 (2) Å].

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Crystal structure of 2-oxo-2H-chromen-3-yl propano­ate

In the title compound, C12H10O4, the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) Å] and the propionate side chain is 78.48 (8)°. In the crystal, weak C-H⋯O hydrogen bonds generate inversion dimers and and C-H⋯π and π-π inter-actions link the dimers into a three-dimensional network. A quantum chemical calculation is in good agreement with the observed structure.

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2013

ISSN: 1600-5368

DOI: 10.1107/s1600536813021806