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3-[(N-Methyl-anilino)meth-yl]-5-(thio-phen-2-yl)-1,3,4-oxadiazole-2(3H)-thione.

ABSTRACT: In the title compound, C(14)H(13)N(3)OS(2), the thio-phene ring is disordered over two orientations by ca 180° about the C-C bond axis linking the ring to the rest of the mol-ecule, with a site-occupancy ratio of 0.651?(5):0.349?(5). The central 1,3,4-oxadiazole-2(3H)-thione ring forms dihedral angles of 9.2?(5), 4.6?(11) and 47.70?(7)° with the major and minor parts of the disordered thio-phene ring and the terminal phenyl ring, respectively. In the crystal, no significant inter-molecular hydrogen bonds are observed. The crystal packing is stabilized by ?-? inter-actions [centroid-centroid distance = 3.589?(2)?Å].

SUBMITTER: El-Emam AA

PROVIDER: S-EPMC3344480 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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3-[(N-Methyl-anilino)meth-yl]-5-(thio-phen-2-yl)-1,3,4-oxadiazole-2(3H)-thione.

El-Emam Ali A AA Al-Omar Mohamed A MA Ghabbour Hazem A HA Fun Hoong-Kun HK Chia Tze Shyang TS

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the title compound, C(14)H(13)N(3)OS(2), the thio-phene ring is disordered over two orientations by ca 180° about the C-C bond axis linking the ring to the rest of the mol-ecule, with a site-occupancy ratio of 0.651 (5):0.349 (5). The central 1,3,4-oxadiazole-2(3H)-thione ring forms dihedral angles of 9.2 (5), 4.6 (11) and 47.70 (7)° with the major and minor parts of the disordered thio-phene ring and the terminal phenyl ring, respectively. In the crystal, no significant inter-molecular hydro ...[more]

PMID: 22590242

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