Metal—(phenylthio)acetic acid interactions. Part 3. The crystal structures of anhydrous barium (phenylthio)acetate and the potassium (phenylthio)acetate-(phenylthio)acetic acid adduct

Add time:08/13/2019    Source:sciencedirect.com

The crystal structures of barium and potassium complexes of (phenylthio)acetic acid (PTAH) have been determined using X-ray diffraction. The barium analogue, [Ba(PTA)2]n(1) is monoclinic, space group C2 with Z = 2, a = 7.219(4), b = 5.894(2), c = 19.272(2) Å, β = 91.57(4)°. [K(PTA)(PTAH)]n(2) is triclinic, space group P1 with Z = 2, a = 6.272(1), b = 7.222(1), c = 18.459(3) Å, α = 97.23(1), β = 93.64(1), γ = 97.31(1)°. The structures of (1) and (2) were refined to residuals of 0.047 and 0.053 for 844 and 2628 ‘observed’ reflections respectively. The MO8 coordination about Ba in (1) is distorted ‘cubic’ with four oxygens from two bidentate carboxylate groups [BaO, 2.86, 2.97(3) Å] and four oxygens from adjacent carboxylates [BaO, 2.68, 2.69(2) Å] forming an infinite 2-dimensional polymer structure. (2) is polymeric and has bonded PTA as well as adducted PTAH species. There are seven KO contacts ranging from 2.729–3.034(3) Å from both PTA and PTAH species in an irregular coordination.

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