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2-(5-Bromo-pyridin-3-yl)-5-[3-(4,5,6,7-tetra-hydro-thieno[3,2-c]pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole.

ABSTRACT: In the title compound, C(18)H(13)BrN(4)O(3)S(3), the tetra-hydro-pyridine ring adopts a half-chair conformation with the central methyl-ene-C atom of the NCH(2)CH(2) unit at the flap. The dihedral angles between the tetra-hydro-pyridine ring and the pyridine and two thio-phene rings are 69.34?(13) 5.66?(13) and 68.63?(13)°, respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetra-hydro-pyridine rings is 54.76?(13)°. The mol-ecule is stabilized by an intra-molecular C-H?N inter-action. In the crystal, adjacent mol-ecules are connected via bifurcated C-H?(N,O) hydrogen bonds, forming a chain along the b axis.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3201536 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

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2-(5-Bromo-pyridin-3-yl)-5-[3-(4,5,6,7-tetra-hydro-thieno[3,2-c]pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole.

Fun Hoong-Kun HK   Hemamalini Madhukar M   Rai Sankappa S   Isloor A M AM   Shetty Prakash P  

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

In the title compound, C(18)H(13)BrN(4)O(3)S(3), the tetra-hydro-pyridine ring adopts a half-chair conformation with the central methyl-ene-C atom of the NCH(2)CH(2) unit at the flap. The dihedral angles between the tetra-hydro-pyridine ring and the pyridine and two thio-phene rings are 69.34 (13) 5.66 (13) and 68.63 (13)°, respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetra-hydro-pyridine rings is 54.76 (13)°. The mol-ecule is stabilized by an intra-molecular C-H⋯N int  ...[more]

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