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

El-Emam AA, Al-Omar MA, Ghabbour HA, Fun HK, Chia TS - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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).In the crystal, no significant inter-molecular hydrogen bonds are observed.The crystal packing is stabilized by π-π inter-actions [centroid-centroid distance = 3.589 (2) Å].

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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 π-π inter-actions [centroid-centroid distance = 3.589 (2) Å].

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound with atom labels and 30% probability displacement ellipsoids. Atoms of the minor occupancy component are labelled with the suffix A.
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Fap1: The molecular structure of the title compound with atom labels and 30% probability displacement ellipsoids. Atoms of the minor occupancy component are labelled with the suffix A.


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

El-Emam AA, Al-Omar MA, Ghabbour HA, Fun HK, Chia TS - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the title compound with atom labels and 30% probability displacement ellipsoids. Atoms of the minor occupancy component are labelled with the suffix A.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344480&req=5

Fap1: The molecular structure of the title compound with atom labels and 30% probability displacement ellipsoids. Atoms of the minor occupancy component are labelled with the suffix A.
Bottom Line: 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).In the crystal, no significant inter-molecular hydrogen bonds are observed.The crystal packing is stabilized by π-π inter-actions [centroid-centroid distance = 3.589 (2) Å].

View Article: PubMed Central - HTML - PubMed

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 π-π inter-actions [centroid-centroid distance = 3.589 (2) Å].

No MeSH data available.


Related in: MedlinePlus