Crystal structure of catena-(μ4-1,3-diethyl-2-thiobarbiturato-O,O’,S,S)silver(I)

Abstract

The crystal structure of catena (μ 4 1,3 diethyl 2 thiobarbiturato O,O',S,S)silver(I) [Ag(μ 4 DETBA O,O',S,S] (1), where HDETBA is 1,3 diethyl 2 thiobarbituric acid C 8 H 12 N 2 O 2 S, has been solved by X ray powder diffraction. Crystals of complex 1 are monoclinic, a = 7.8339(2) Å, b = 15.4970(4) Å, c = 8.7502(2) Å, β = 111.916(2)°, V = 985.53(5) Å 3 , space group P2 1 /c, Z = 4. The Ag + ion is coordinated by two oxygen atoms and two sulfur atoms to form a distorted tetrahedron. Tetrahedra share sulfur atom vertices to form infinite chains linked via bridging DETBAions into a three dimensional framework. No hydrogen bonds have been found in the structure, but π-π interaction is observed between DETBAions.

First outer-sphere 1,3-diethyl-2-thiobarbituric compounds [M(H2O)6](1,3-diethyl-2-thiobarbiturate)2·2H2O (M = Co2+, Ni2+): Crystal structure, spectroscopic and thermal properties

“…. .12°) were observed for Detba À ion in HDetba and its coordination compounds [21,[25][26][27]. The present investigation shows that (1) and (2) have conformational state (A).…”

“…The peculiarity of (1) and (2) structures, contrary to HDetba and almost all its known coordination compounds with metals [25][26][27], besides AgDetba [21], are the p-p interactions between the Detba À rings. Like AgDetba, the packing of Detba À ions should be classified as head-to-tail type.…”

“…For example, only the structure of coordination compounds M = Li, Na, K, Tl, Rb, Cs, Ag(I), Pb(II), Eu(III) with 1,3-diethyl-2-thiobarbituric acid (C 8 H 11 N 2 O 2 S, HDetba) [21,[25][26][27][28] were solved from all compounds with N,N-substituted thiobarbituric acids. It was shown earlier that HDetba exhibits n-channel organic thin film transistor properties [29].…”

“…They form coordination compounds with metal ions, primarily with d-elements, and the crystals possess different composition and structure due to the presence of donor N, O and S atoms [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21]. These coordination compounds may have potentially valuable pharmaceutical properties [17,18].…”

“…Whereas the series of coordination compounds of 2-thiobarbituric acid with d-elements are synthesized and characterized [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21], the data about their derivatives are scarce. For example, only the structure of coordination compounds M = Li, Na, K, Tl, Rb, Cs, Ag(I), Pb(II), Eu(III) with 1,3-diethyl-2-thiobarbituric acid (C 8 H 11 N 2 O 2 S, HDetba) [21,[25][26][27][28] were solved from all compounds with N,N-substituted thiobarbituric acids.…”