화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.658, No.1, 165-176, 2017
Crystal structures of four inclusion compounds of 2,2-dithiosalicylic acid and tetraalkylammonium
Herein four inclusion compounds of 2,2-dithiosalicylic acid and tetraalkylammonium, 2(CH3)(4)N+C14H8O4S22-H2O (1), (C2H5)(4)N(+)C(14)H(9)O(4)S(2)(-)0.25H(2)O(2), (n-C3H7)(4)N+C14H9O4S2- (3) and (n-C4H9)(4)N+C14H9O4S2-(4) are prepared and characterized by X-ray single crystal diffraction. As shown in the results, compounds 1 and 3 belong to orthorhombic crystal system with different space groups of P2(1)2(1)2(1) and Pca2(1), and 2 and 4 are monoclinic system with similar groups of P2(1)/n and P2(1)/c. The crystallography data are displayed below: 1: a = 10.5903(7) angstrom, b = 10.6651(7) angstrom, c = 21.9476(13) angstrom, V = 2478.9(3) angstrom(3), Z = 4, R-1 = 0.0359; 2: a = 8.13340(1) angstrom, b = 22.0741(3)angstrom, c = 13.2143(2)angstrom, = 101.6360(1) degrees, V = 2323.70(6) angstrom(3), Z = 1, R-1 = 0.0385; 3: a = 15.7857(2) angstrom, b = 8.24830(1) angstrom, c = 20.2599(2) angstrom, V = 2637.94(5) angstrom(3), Z = 4, R-1 = 0.0308(degree)4: a = 11.7476(2) angstrom, b = 17.1346(1) angstrom, c = 16.3583(3)angstrom, = 109.4560(1) degrees, V = 3104.74(9)angstrom(3), Z = 4, R-1 = 0.0562. Interestingly, although the carbon chains of the guest templates vary from methyl group to butyl group, the host molecules of 2,2-dithiosalicylic acid all construct the similar 2D hydrogen-bonded host layers with or without the existence of water molecules to contain the guest templates to yield analogous sandwich-like inclusion compounds. Obviously, although the guest templates will have certain effects on the ultimate formation of these crystal structures, the host molecule of 2,2-dithiosalicylic acid is a controlling factor to form these four inclusion compounds.