Akademik Veri Yönetim Sistemi
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.82, ss.732-740, 2026 (ESCI, Scopus)
In the crystal of the title compound, C2H2BrN3S, N-H center dot center dot center dot N hydrogen bonds connect the molecules in the form of hydrogen-bonded double-layered ribbons along the c-axis direction including R-2(2)(8) and R-1(2)(3) motifs, which extend to double layers in the bc-plane through the same hydrogen bonding albeit at different angles. The actual packing between these layers appears to also be a result of weak vdW interactions (Br/S, Br/Br) as well as Br-Br repulsion (steric and/or electrostatic). Looking along b or slightly deviating from that direction shows that the latter adopt a zipper pattern in order to not get too close to each other. Hirshfeld surface analysis indicates that N center dot center dot center dot H/H center dot center dot center dot N, Br center dot center dot center dot S/S center dot center dot center dot Br, Br center dot center dot center dot Br and H center dot center dot center dot H contacts account for 69.3% of the total contributions to the Hirshfeld surface.