{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 10)"],"submitter":["Fun HK"],"pubmed_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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2743-4"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3201536"],"repository":["biostudies-literature"],"pubmed_title":["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."],"pmcid":["PMC3201536"],"pubmed_authors":["Fun HK","Shetty P","Isloor AM","Rai S","Hemamalini M"],"additional_accession":[]},"is_claimable":false,"name":"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.","description":"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.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Oct","modification":"2025-04-05T10:24:35.462Z","creation":"2019-03-26T23:59:30Z"},"accession":"S-EPMC3201536","cross_references":{"pubmed":["22058804"],"doi":["10.1107/S1600536811038529"]}}