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Crystal structure of 3-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione
The title compound, C(18)H(20)N(4)O(2)S(2), 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 conformati...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770969/ https://www.ncbi.nlm.nih.gov/pubmed/26958404 http://dx.doi.org/10.1107/S2056989016000992 |
Sumario: | The title compound, C(18)H(20)N(4)O(2)S(2), 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. |
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