Crystal structure of (E)-3-(4-hydroxybenzyl)- 4-{[4-(methylsulfanyl) benzylidene] amino}-1H-1,2,4-triazole-5(4H)thione

被引：1

作者：

Manjula, P. S. ^{[1
]}

Sarojini, R. K. ^{[2
]}

Narayana, R. ^{[3
]}

Byrappa, K. ^{[4
]}

Kumar, S. Madan ^{[5
]}

机构：

[1] PA Coll Engn, Dept Chem, Mangaluru 574153, India

[2] Mangalore Univ, Dept Ind Chem, Mangaluru 574199, India

[3] Mangalore Univ, Dept Chem, Mangaluru 574199, India

[4] Mangalore Univ, Dept Mat Sci, Mangaluru 574199, India

[5] Mangalore Univ, PURSE Lab, Mangaluru 574199, India

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷

关键词：

crystal structure; triazole; thione; methylthiobenzylidene; hydrogen bonding; pi-pi interactions;

D O I：

10.1107/S2056989015021994

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C17H16N4OS2, the triazole and methyl-thio-benzyl-idene rings are nearly coplanar, making a dihedral angle of 6.52 (12)degrees. An intra-molecular C-H center dot center dot center dot S hydrogen bond forms an S(6) ring motif. The hy-droxy-benzyl ring is almost normal to the triazole and methyl-thio-benzyl-idene rings, making dihedral angles of 78.56 degrees(12) and 84.79(11)degrees, respectively. In the crystal, mol-ecules are linked through O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked via C-H center dot center dot center dot N hydrogen bonds, forming a three-dimensional structure. In addition, a short pi-pi inter-action is observed [inter-centroid distance = 3.764?(3)angstrom], involving inversion-related methyl-thio-benzyl-idene rings.

引用

页码：O982 / U886

页数：9

共 7 条

[1]

[Anonymous], 2011, CRYSTALCLEAR

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