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Full-Text Articles in Physical Sciences and Mathematics
Crystal Structure Of (E)-13-(Pyrimidin-5-Yl)Parthenolide, Shobanbabu Bommagani, Narsimha Reddy Penthala, Sean Parkin, Peter A. Crooks
Crystal Structure Of (E)-13-(Pyrimidin-5-Yl)Parthenolide, Shobanbabu Bommagani, Narsimha Reddy Penthala, Sean Parkin, Peter A. Crooks
Chemistry Faculty Publications
The title compound, C19H22N2O3, {systematic name (1aR,4E,7aS,8E,10aS,10bR)-1a,5-dimethyl-8-[(pyrimidin-5-yl)methylidene]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2′,3′:9,10]cyclodeca[1,2-b]furan-9(1aH)-one} was obtained from the reaction of parthenolide [systematic name (1aR,7aS,10aS,10bR,E)-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2′,3′:9,10]cyclodeca[1,2-b]furan-9(1aH)-one] with 5-bromopyrimidine under Heck reaction conditions, and was identified as an E isomer. The molecule possesses ten-, five- (lactone) and three-membered (epoxide) rings with a pyrimidine group as a substituent. The ten-membered ring displays an approximate chair–chair conformation, while the lactone ring shows a flattened …
Comparison Of The Crystal Structures Of 4,4′-Bis[3-(4-MethylPiperidin-1-Yl)Prop-1-Yn-1-Yl]-1,1′-BiPhenyl And 4,4′-Bis[3-(2,2,6,6-TetraMethylPiperidin-1-Yl)Prop-1-Yn-1-Yl]-1,1′-BiphenYl, Anqi Wan, Narsimha Reddy Penthala, E. Kim Fifer, Sean Parkin, Peter A. Crooks
Comparison Of The Crystal Structures Of 4,4′-Bis[3-(4-MethylPiperidin-1-Yl)Prop-1-Yn-1-Yl]-1,1′-BiPhenyl And 4,4′-Bis[3-(2,2,6,6-TetraMethylPiperidin-1-Yl)Prop-1-Yn-1-Yl]-1,1′-BiphenYl, Anqi Wan, Narsimha Reddy Penthala, E. Kim Fifer, Sean Parkin, Peter A. Crooks
Chemistry Faculty Publications
As part of a comprehensive program to discover α9α10 nicotinic acetylcholine receptor antagonists, the title compounds C30H36N2, (I), and C36H48N2, (II), were synthesized by coupling 4,4′-bis(3-bromoprop-1-yn-1-yl)-1,1′-biphenyl with 4-methylpiperidine and 2,2,6,6-tetramethylpiperidine, respectively, in acetonitrile at room temperature. In compound (I), the biphenyl system has a twisted conformation with a dihedral angle of 26.57 (6)° between the two phenyl rings of the biphenyl moiety, while in compound (II), the biphenyl moiety sits on a crystallographic inversion centre so the two phenyl rings are exactly coplanar. The terminal piperidine rings in …
Comparison Crystal Structure Conformations Of Two Structurally Related Biphenyl Analogues: 4,4'-Bis[3-(Pyrrolidin-1-Yl)Prop-1-Yn-1-Yl]-1,1'-Biphenyl And 4,4'-Bis{3-[(S)-2-Methylpyrrolidin-1-Yl]Prop-1-Yn-1-Yl}-1,1'-Biphenyl, Anqi Wan, Narsimha Reddy Penthala, E. Kim Fifer, Sean Parkin, Peter A. Crooks
Comparison Crystal Structure Conformations Of Two Structurally Related Biphenyl Analogues: 4,4'-Bis[3-(Pyrrolidin-1-Yl)Prop-1-Yn-1-Yl]-1,1'-Biphenyl And 4,4'-Bis{3-[(S)-2-Methylpyrrolidin-1-Yl]Prop-1-Yn-1-Yl}-1,1'-Biphenyl, Anqi Wan, Narsimha Reddy Penthala, E. Kim Fifer, Sean Parkin, Peter A. Crooks
Chemistry Faculty Publications
The title compounds, C26H28N2, (I), and C28H32N2, (II), were designed based on the structure of the potent 910 nicotinic acetylcholine receptor antagonist ZZ161C {1,1'-[[1,1'-biphenyl]-4,4'-diylbis(prop-2-yne-3,1-diyl)]bis(3,4-dimethylpyridin-1-ium) bromide}. In order to improve the druglikeness properties of ZZ161C for potential oral administration, the title compounds (I) and (II) were prepared by coupling 4,4'-bis(3-bromoprop-1-yn-1-yl)-1,1'-biphenyl with pyrrolidine, (I), and (S)-2-methylpyrrolidine, (II), respectively, in acetonitrile at room temperature. The asymmetric unit of (I) contains two half molecules that each sit on sites of crystallographic inversion. As a result, the biphenyl ring systems in …
Crystal Structure Of Orthorhombic {Bis-[(Pyridin-2-Yl)Methyl](3,5,5,5-Tetrachloropentyl)Amine-Κ3N,N',N''}Chloridocopper(Ii) Perchlorate, Katherine A. Bussey, Annie R. Cavalier, Jennifer R. Connell, Margaret E. Mraz, Kayode D. Oshin, Tomislav Pintauer, Danielle L. Gray, Sean Parkin
Crystal Structure Of Orthorhombic {Bis-[(Pyridin-2-Yl)Methyl](3,5,5,5-Tetrachloropentyl)Amine-Κ3N,N',N''}Chloridocopper(Ii) Perchlorate, Katherine A. Bussey, Annie R. Cavalier, Jennifer R. Connell, Margaret E. Mraz, Kayode D. Oshin, Tomislav Pintauer, Danielle L. Gray, Sean Parkin
Chemistry Faculty Publications
In the title compound, [CuCl(C17H19Cl4N3)]ClO4, the CuII ion adopts a distorted square-planar geometry defined by one chloride ligand and the three nitrogen atoms from the bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine ligand. The perchlorate counter-ion is disordered over three sets of sites with refined occupancies 0.0634 (17), 0.221 (16) and 0.145 (7). In addition, the hetero-scorpionate arm of the bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine ligand is disordered over two sets of sites with refined occupancies 0.839 (2) and 0.161 (2). In the crystal, weak Cu⋯Cl interactions between symmetry-related molecules create a dimerization with a chloride occupying the apical …