Crystal structure of (7-chloro-2-oxo-2H-chromen-4-yl)methylN,N-dimethylcarbamodithioate

Abstract

In the title compound, C13H12Cl N O2S2, the 2H-chromene ring system is almost planar, with a maximum deviation of 0.005 (2) Å. The packing features C—H⋯S hydrogen bonds and π–π inter­actions between fused benzene rings of chromene [shortest centroid–centroid distances = 3.6553 (13) and 3.5551 (13) Å].

Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2H-chromen-4-yl pentanoate

“…A search of the Cambridge structural Database (CSD; Groom et al, 2016;updated to April 2024) found seven coumarins structures with substituents at the 4-positions (XUFGOW, Kavitha et al, 2015;NUZJOJ, Vinduvahini et al, 2016;UDOGIF01, Anitha et al, 2016, HUYVEE, Anitha et al, 2015NAGWAW, Ravi et al, 2016;DIWPAE, Hollauer et al, 2023). All seven have structural parameters very similar to this one, including essentially planar chromene portions.…”