(6-Fluoro-2-oxo-2H-chromen-4-yl)methyl di­ethyl­carbamodi­thio­ate

El-Khatatneh, Nasseem and Chandra and Rajesh, B. M. and Kumar, Shamantha and Doreswamy, B. H. and Mahendra, M. (2017) (6-Fluoro-2-oxo-2H-chromen-4-yl)methyl di­ethyl­carbamodi­thio­ate. IUCrData, 2 (1). x162069. ISSN 2414-3146

[img] Text
(6-Fluoro-2-Oxo-2H-Chromen-4-yl) Methyl Diethylcarbamodithioate.pdf - Published Version

Download (685kB)
Official URL: https://doi.org/10.1107/S2414314616020691


The title compound, C\sb 15H\sb 16FNO\sb 2S\sb 2, crystallizes with two independent mol\-ecules (\it A and \it B) in the asymmetric unit. They differ essentially in the orientation of the ethyl groups. The chromene rings are planar (r.m.s. deviations = 0.013Å for both mol\-ecules), with the maximum deviation from the ring planes being 0.014(2) and 0.018(2)Å for atoms C9\it A and C9\it B, respectively. The mean plane of the chromene ring makes dihedral angles of 80.01(7) and 76.97(8)\circ with the carbamodi\-thio\-ate moiety (N{---}C(=S){---}S of mol{\-}ecules {\it A} and {\it B}, respectively. In the crystal, the two mol{\-}ecules are linked by C{---}H{$\cdots$}S hydrogen bonds, forming a ladder-like arrangement propagating along the {\it a-}axis direction. Within the ladders there are offset {$\pi$}{--}{$\pi$} inter{\-}actions involving the coumarins rings of the {\it B} mol{\-}ecules inter{\-}centroid distances vary from 3.705(2) to 3.860(1){\AA}. Neighbouring ladders are linked {\it via} offset {$\pi$}{--}{$\pi$} inter{\-}actions involving the coumarins rings of the {\it A} mol{\-}ecules inter{\-}centroid distances vary from 3.539(1) to 3.601(1){\AA}. These latter inter{\-}actions lead to the formation of layers parallel to the {\it ac} plane.

Item Type: Article
Uncontrolled Keywords: crystal structure, chromene derivatives, carbamodithioate, hydrogen bonding, offset pi-pi interactions
Subjects: D Physical Science > Physics
Divisions: Department of > Physics
Depositing User: C Swapna Library Assistant
Date Deposited: 17 Jun 2019 09:55
Last Modified: 17 Jun 2019 09:55
URI: http://eprints.uni-mysore.ac.in/id/eprint/3280

Actions (login required)

View Item View Item