Synthesis, crystal structure and theoretical calculation of di-n-butyltin (IV) carboxylate based on m-nitrobenzaldehyde oxime acetic acid

Reaction between m-nitrobenzaldehyde oxime acetic acid (HL) and di-n-butyltin oxide yield the com-plex {[(C4H9)(2)Sn(3-NO2-PhCH = N-OCH2COO)](2)O-}2. The crystal structure and elemental composition of the polymer were studied by elemental analysis, X-ray single crystal diffraction, infrared spectroscopy and NMR ( 1 H and 13 C). Analysis shows that Sn atoms inside and outside the ring have different coordination modes. The molecules of the complex form a 1D chain structure through the interaction of the hydrogen bond C(8)-H(8B) middotmiddotmiddotO(9). The 1D chains linked by C(2)-H(2A) ...O(6) and C(11)-H(11A) ...O(2) hydrogen bonds further linked into 2D layered structure. Additionally, the PXRD, TG, Hirshfeld surface analysis, quantum chemistry calculations and luminescent property of the complex were investigated. The quantum chemistry calculations were performed with the Gaussian 09 program.(c) 2022 Elsevier B.V. All rights reserved.

Automated summary

The reaction between m-nitrobenzaldehyde oxime acetic acid and di-n-butyltin oxide resulted in the formation of a complex with a complex chain and layered structure. The crystal structure, elemental composition, and physical properties of the complex were analyzed using various experimental techniques.