{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 10)"],"submitter":["Kumar M"],"pubmed_abstract":["In the title compound, C(23)H(25)BrN(4)O(3)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 69.7 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 70.4 (1)°. The mol-ecular conformation is stabilized by a weak intra-molecular π-π stacking inter-action between the pyrimidine and the 4-methyl benzene rings [centroid-centroid distance = 3.633 (2) Å]. The piperidine ring adopts a chair conformation. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯O hydrogen bonds."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2831"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3470193"],"repository":["biostudies-literature"],"pubmed_title":["N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-4-methyl-benzene-sulfonamide."],"pmcid":["PMC3470193"],"pubmed_authors":["Kapoor K","Sridhar MA","Mallesha L","Kant R","Kumar M","Gupta VK"],"additional_accession":[]},"is_claimable":false,"name":"N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-4-methyl-benzene-sulfonamide.","description":"In the title compound, C(23)H(25)BrN(4)O(3)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 69.7 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 70.4 (1)°. The mol-ecular conformation is stabilized by a weak intra-molecular π-π stacking inter-action between the pyrimidine and the 4-methyl benzene rings [centroid-centroid distance = 3.633 (2) Å]. The piperidine ring adopts a chair conformation. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯O hydrogen bonds.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Oct","modification":"2025-04-19T15:53:02.774Z","creation":"2019-03-27T00:59:01Z"},"accession":"S-EPMC3470193","cross_references":{"pubmed":["23125637"],"doi":["10.1107/S1600536812037257"]}}