Crystal structure of 3-{[4-(2-meth­oxy­phen­yl)piperazin-1-yl]meth­yl}-5-(thio­phen-2-yl)-1,3,4-oxa­diazole-2(3H)-thione

Acta Crystallographica Section E: Crystallographic Communications

Al-Alshaikh, M.A.¹  Abuelizz, H.A.²  El-Emam, A.A.²  Garcia-Granda, S.³  Abdelbaky, M.S.M.³ 

[1] Department of Chemistry, College of Sciences, King Saud University, Riyadh 11451, Saudi Arabia;Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia;Department of Physical and Analytical Chemistry, Faculty of Chemistry, Oviedo University-CINN, Oviedo 33006, Spain

关键词: CRYSTAL STRUCTURE;    1;    3;    4-OXADIAZOLE;    THIOPHENE;    PIPERAZINE;    DISORDER;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989016000992

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C18H20N4O2S2, is a new 1,3,4-oxa­diazole and a key pharmacophore of several biologically active agents. It is composed of a meth­yl(thio­phen-2-yl)-1,3,4-oxa­diazole-2(3H)-thione moiety linked to a 2-meth­oxy­phenyl unit via a piperazine ring that has a chair conformation. The thio­phene ring mean plane lies almost in the plane of the oxa­diazole ring, with a dihedral angle of 4.35 (9)°. The 2-meth­oxy­phenyl ring is almost normal to the oxa­diazole ring, with a dihedral angle of 84.17 (10)°. In the crystal, mol­ecules are linked by weak C—H⋯S hydrogen bonds and C—H⋯π inter­actions, forming layers parallel to the bc plane. The layers are linked via weak C—H⋯O hydrogen bonds and slipped parallel π–π inter­actions [inter­centroid distance = 3.6729 (10) Å], forming a three-dimensional structure. The thio­phene ring has an approximate 180° rotational disorder about the bridging C—C bond.

【 授权许可】

CC BY