Diorganostannoxanes Stabilized by Intramolecular N→Sn Coordination Approach: Synthesis, Structure, TD-DFT and Hirshfeld Surface Analysis

A mononuclear diorganotin halide and two dinuclear diorganostannoxanes containing Sn-O unit were synthesized using intramolecular coordination approach involving 2-phenylazophenyl substituent on tin. [(R2Sn)(2)(mu(2)-O)Cl-2]center dot CH2Cl2 ( 1 ) was obtained by partial hydrolysis of R2SnCl2 (R = 2-phenylazophenyl) using equimolar sodium hydroxide whereas, [R2Sn(cupf)Cl] {cupf= cupferronato} ( 2 ) was obtained by the room temperature reaction of cupferron with R2SnCl2. [(R2Sn)(mu(2)-OH)(OOCCH= CHC6H5)](2)center dot 2H(2)O (3) was obtained by the reaction of cinnamic acid and R2SnO (R = 2-phenylazophenyl) in refluxing toluene. The molecular structures of complex 1-3 were established using single crystal x-ray crystallography. Time dependent density functional theory (TD-DFT) calculations revealed that the transitions occurring in 1-3 are mainly ligand-to-ligand type. Intermolecular interactions in 1-3 were studied using Hirshfeld sur -faces. 2D fingerprint plots illustrated that supramolecular assemblies of 1 and 2 were influenced majorly by CH center dot center dot center dot pi, N center dot center dot center dot H, Cl center dot center dot center dot H and O center dot center dot center dot H interactions whereas supramolecular assembly of 3 mainly consisted of CH center dot center dot center dot pi, N center dot center dot center dot H and O center dot center dot center dot H interactions. (C) 2022 Elsevier B.V. All rights reserved.