Synthesis and crystal structures of inclusion compounds of 2,2'-dithiosalicylic acid and triethylamine/tripropylamine

Herein we reported two new inclusion compounds of 2,2'-dithiosalicylic acid (C14H10O4S2, DTSA) and triethylamine and tripropylamine, [C14H8O4S22- · [N+(C2H5)3]2 · H2O] (1) and [C14H10O4S2 · C14H8O4S22- · [N+(C3H7)3]2] (2). Compound 1: triclinic P\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\overline 1$$\end{document}, a = 8.2159(2), b = 12.5724(3), c = 14.9203(3) Å, α = 97.0390(10), β = 101.4310(10)°, γ = 101.3370(10)°, V = 1460.06(6) Å3, Z = 2, R1 = 0.0526, wR2 = 0.1495; Compound 2: monoclinic P21/c, a = 20.5178(13), b = 15.3623(8), c = 15.5529(9) Å, β = 102.036(3)°, V = 4794.5(5) Å3, Z = 4, R1 = 0.0533, wR2 = 0.1252. In these two crystal structures, DTSA utilizes conventional O–H···O hydrogen bonds to link to generate varied host lattices, in which the central N atoms of the guest amine molecules accept the protons of DTSA to form the corresponding cations to act as the couterions to develop the stable crystal structures. Noticeably, except Van der Waals forces usually existing between the host and guest molecules, the central N atoms of the guests of the two compounds can construct strong N–H…O hydrogen bonds with the related host molecules, which further enforce the host-guest interactions to help form the final inclusion compounds.