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)₄N⁺·C₁₄H₈O₄S₂²⁻·H₂O (<bold>1</bold>), (C₂H₅)₄N⁺·C₁₄H₉O₄S₂⁻·0.25H₂O(<bold>2</bold>), (<italic>n</italic>-C₃H₇)₄N⁺·C₁₄H₉O₄S₂⁻ (<bold>3</bold>) and (<italic>n</italic>-C₄H₉)₄N⁺·C₁₄H₉O₄S₂⁻(<bold>4</bold>) are prepared and characterized by X-ray single crystal diffraction. As shown in the results, compounds <bold>1</bold> and <bold>3</bold> belong to orthorhombic crystal system with different space groups of <italic>P</italic>2₁2₁2₁ and <italic>Pca</italic>2₁, and <bold>2</bold> and <bold>4</bold> are monoclinic system with similar groups of <italic>P</italic>2₁/<italic>n</italic> and <italic>P</italic>2₁/<italic>c</italic>. The crystallography data are displayed below: <bold>1</bold>: <italic>a</italic> = 10.5903(7) Å, <italic>b</italic> = 10.6651(7) Å, <italic>c</italic> = 21.9476(13) Å, V = 2478.9(3) ų, Z = 4, <italic>R</italic>₁ = 0.0359; <bold>2</bold>: <italic>a</italic> = 8.13340(1) Å, <italic>b</italic> = 22.0741(3)Å, <italic>c</italic> = 13.2143(2)Å, β = 101.6360(1) °, V = 2323.70(6) ų, Z = 1, <italic>R</italic>₁ = 0.0385; <bold>3</bold>: <italic>a</italic> = 15.7857(2) Å, <italic>b</italic> = 8.24830(1) Å, <italic>c</italic> = 20.2599(2) Å, V = 2637.94(5) ų, Z = 4, <italic>R</italic>₁ = 0.0308_degree<bold>4</bold>: <italic>a</italic> = 11.7476(2) Å, <italic>b</italic> = 17.1346(1) Å, <italic>c</italic> = 16.3583(3)Å, β = 109.4560(1) °, V = 3104.74(9)ų, Z = 4, <italic>R</italic>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. [ABSTRACT FROM AUTHOR]