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Ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-ylsulfan-yl)acetate.

ABSTRACT: The title mol-ecule, C(12)H(12)N(2)O(3)S, is composed of two individually planar units, viz. 5-phenyl-1,3,4-oxadiazol-2-yl-sulfanyl and ethyl acetate, which are oriented at almost right angles [80.07?(8)°] with respect to each other. The structure is stabilized by weak inter-molecular C-H?O and C-H?N hydrogen bonds. The phenyl and oxadiazole rings show ?-? stacking inter-actions [centroid-centroid distance = 3.846?(2)?Å] and there is also a short ?-inter-action between the carbonyl O atom and the oxadiazole ring [the distance from this O atom to the centroid of the oxadiazole ring is 3.156?(2)?Å].

SUBMITTER: Zareef M

PROVIDER: S-EPMC2961061 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

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Ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-ylsulfan-yl)acetate.

Zareef Muhammad M Iqbal Rashid R Arfan Muhammad M Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20080320 Pt 4

The title mol-ecule, C(12)H(12)N(2)O(3)S, is composed of two individually planar units, viz. 5-phenyl-1,3,4-oxadiazol-2-yl-sulfanyl and ethyl acetate, which are oriented at almost right angles [80.07 (8)°] with respect to each other. The structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds. The phenyl and oxadiazole rings show π-π stacking inter-actions [centroid-centroid distance = 3.846 (2) Å] and there is also a short π-inter-action between the carbonyl O atom and th ...[more]

PMID: 21202126

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