(7-Chloro-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbodithioate

Abstract

In the title compound, C16H16ClNO2S2, the piperidine ring is in a chair conformation. In the coumarin ring system, the dihedral angle between the benzene and pyran rings is 3.5 (1)°. In the crystal, a weak C—H...O hydrogen bond links molecules into chains along [001]. In addition, π–π stacking interactions are present involving the benzene and pyran rings, with a centroid-to-centroid distance of 3.712 (2) Å. The crystal studied is a nonmerohedral twin with refined components 0.221 (1) and 0.779 (1)

Quantum chemical studies on the molecular structure, spectroscopic and electronic properties of (6-Methoxy-2-oxo-2H-chromen-4-yl)-methyl pyrrolidine-1-carbodithioate

“…They are structurally closely related to chromenes and show various biological activities [2][3][4][5][6]. Some coumarin derivatives, due to their outstanding optical properties, have also found a place and subsequent use in laser dyes, non-linear optical chromophores, fluorescent whiteners, fluorescent probes and solar energy collectors [7][8][9][10]. Because of its unique medicinal properties, structural variability, low cost and low toxicity, the coumarin scaffold has been broadly used in the design and development of a number of pharmaceutically important compounds [11].…”

(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate

“…For biological properties of coumarins, see: Adavi et al (2004); Laurin et al (1999); Kulkarni et al (2006). For related structures, see: Kumar et al (2012); Kant et al (2012). For synthetic details, see: Shastri et al (2004); Vasilliev & Polackov (2000).…”

Molecular and Electronic Analysis of (7-Chloro-2-oxo-2H-chromen-4-yl)-methyl diethylcarbamodithioate by DFT and HF Calculations

“…Coumarins are obtained from both natural products and synthetic methods and also their derivatives possess potential biological activity such as antimicrobial [1], antifungal [2], anti-HIV [3], antioxidant [4], anticancer [5], antiviral [6], tuberculostatic [7], antitumor [8], antivascular [9], TNF-α inhibitor [10], anticoagulant [11], estrogenic [12], anti-inflammatory [13], and anticonvulsant activity [14,15]. Some coumarin derivatives have also been used in laser dyes, non-linear optical chromophores, photoluminescent materials, fluorescent whiteners, fluorescent probes, and solar energy collectors [16][17][18][19][20][21]. On the other hand, it is known that they are used as additives in food and cosmetics [22].…”