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Full-Text Articles in Physical Sciences and Mathematics
Synthesis And Crystal Structures Of 3,6-DiHyDroxyPicolinic Acid And Its Labile InterMediate Dipotassium 3-HyDrOxy-6-(SulfonatoOxy)Pyridine-2-CarboxylAte Monohydrate, Edward J. Behrman, Sean R. Parkin
Synthesis And Crystal Structures Of 3,6-DiHyDroxyPicolinic Acid And Its Labile InterMediate Dipotassium 3-HyDrOxy-6-(SulfonatoOxy)Pyridine-2-CarboxylAte Monohydrate, Edward J. Behrman, Sean R. Parkin
Chemistry Faculty Publications
A simplified two-step synthesis of 3,6-dihydroxypicolinic acid (3-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid), C6H5NO4 (II), an intermediate in the metabolism of picolinic acid, is described. The crystal structure of II, along with that of a labile intermediate, dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate, 2K+·C6H3NO7S2−·H2O (I), is also described. Compound I comprises a pyridine ring with carboxylate, hydroxyl (connected by an intramolecular O—H⋯O hydrogen bond), and sulfate groups at the 2-, 3-, and 6-positions, respectively, along with two potassium cations for charge balance and one water …
Crystal Structure Of Zymonic Acid And A Redetermination Of Its Precursor, Pyruvic Acid, Dominik Heger, Alexis J. Eugene, Sean R. Parkin, Marcelo I. Guzman
Crystal Structure Of Zymonic Acid And A Redetermination Of Its Precursor, Pyruvic Acid, Dominik Heger, Alexis J. Eugene, Sean R. Parkin, Marcelo I. Guzman
Chemistry Faculty Publications
The structure of zymonic acid (systematic name: 4-hydroxy-2-methyl-5-oxo-2,5-dihydrofuran-2-carboxylic acid), C6H6O5, which had previously eluded crystallographic determination, is presented here for the first time. It forms by intramolecular condensation of parapyruvic acid, which is the product of aldol condensation of pyruvic acid. A redetermination of the crystal structure of pyruvic acid (systematic name: 2-oxopropanoic acid), C3H4O3, at low temperature (90 K) and with increased precision, is also presented [for the previous structure, see: Harata et al. (1977). Acta Cryst. B33, 210–212]. In zymonic acid, the hydroxylactone ring …
Spectroscopy And Formation Of Lanthanum-Hydrocarbon Radicals Formed By C—H And C—C Bond Activation Of 1-Pentene And 2-Pentene, Wenjin Cao, Yuchen Zhang, Silver Nyambo, Dong-Sheng Yang
Spectroscopy And Formation Of Lanthanum-Hydrocarbon Radicals Formed By C—H And C—C Bond Activation Of 1-Pentene And 2-Pentene, Wenjin Cao, Yuchen Zhang, Silver Nyambo, Dong-Sheng Yang
Chemistry Faculty Publications
La atom reactions with 1-pentene and 2-pentene are carried out in a laser-vaporization molecular beam source. The two reactions yield the same metal-hydrocarbon products from the dehydrogenation and carbon–carbon bond cleavage of the pentene molecules. The dehydrogenated species La(C5H8) is the major product, whereas the carbon–carbon bond cleaved species La(C2H2) and La(C3H4) are the minor ones. La(C10H18) is also observed and is presumably formed by La(C5H8) addition to a second pentene molecule. La(C5H8) and La(C2 …
Lanthanum-Mediated Dehydrogenation Of Butenes: Spectroscopy And Formation Of La(C4H6) Isomers, Wenjin Cao, Dilkrushi Hewage, Dong-Sheng Yang
Lanthanum-Mediated Dehydrogenation Of Butenes: Spectroscopy And Formation Of La(C4H6) Isomers, Wenjin Cao, Dilkrushi Hewage, Dong-Sheng Yang
Chemistry Faculty Publications
La atom reactions with 1-butene, 2-butene, and isobutene are carried out in a laser-vaporization molecular beam source. The three reactions yield the same La-hydrocarbon products from the dehydrogenation and carbon-carbon bond cleavage and coupling of the butenes. The dehydrogenated species La(C4H6) is the major product, which is characterized with mass-analyzed threshold ionization (MATI) spectroscopy and quantum chemical computations. The MATI spectrum of La(C4H6) produced from the La+1-butene reaction exhibits two band systems, whereas the MATI spectra produced from the La+2-butene and isobutene reactions display only a single band system. Each of these …
Crystal Structures Of (Z)-5-[2-(Benzo[B]Thiophen-2-Yl)-1-(3,5-Dimethoxyphenyl)Ethenyl]-1H-Tetrazole And (Z)-5-[2-(Benzo[B]Thiophen-3-Yl)-1-(3,4,5-Trimethoxyphenyl)Ethenyl]-1H-Tetrazole, Narsimha Reddy Penthala, Jaishankar K. B. Yadlapalli, Sean Parkin, Peter A. Crooks
Crystal Structures Of (Z)-5-[2-(Benzo[B]Thiophen-2-Yl)-1-(3,5-Dimethoxyphenyl)Ethenyl]-1H-Tetrazole And (Z)-5-[2-(Benzo[B]Thiophen-3-Yl)-1-(3,4,5-Trimethoxyphenyl)Ethenyl]-1H-Tetrazole, Narsimha Reddy Penthala, Jaishankar K. B. Yadlapalli, Sean Parkin, Peter A. Crooks
Chemistry Faculty Publications
(Z)-5-[2-(Benzo[b]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1H-tetrazole methanol monosolvate, C19H16N4O2S·CH3OH, (I), was prepared by the reaction of (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,5-dimethoxyphenyl)acrylonitrile with tributyltin azide via a [3 + 2]cycloaddition azide condensation reaction. The structurally related compound (Z)-5-[2-(benzo[b]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-tetrazole, C20H18N4O3S, (II), was prepared by the reaction of (Z)-3-(benzo[b]thiophen-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile with tributyltin azide. Crystals of (I) have two molecules in the asymmetric unit (Z′ = 2), whereas crystals of (II) have Z′ …
Comparison Of Crystal Structures Of 4-(Benzo[B]Thiophen-2-Yl)-5-(3,4,5-Trimethoxyphenyl)-2H-1,2,3-Triazole And 4-(Benzo[B]Thiophen-2-Yl)-2-Methyl-5-(3,4,5-Trimethoxyphenyl)-2H-1,2,3-Triazole, Narsimha Reddy Penthala, Nikhil Reddy Madadi, Shobanbabu Bommagani, Sean Parkin, Peter A. Crooks
Comparison Of Crystal Structures Of 4-(Benzo[B]Thiophen-2-Yl)-5-(3,4,5-Trimethoxyphenyl)-2H-1,2,3-Triazole And 4-(Benzo[B]Thiophen-2-Yl)-2-Methyl-5-(3,4,5-Trimethoxyphenyl)-2H-1,2,3-Triazole, Narsimha Reddy Penthala, Nikhil Reddy Madadi, Shobanbabu Bommagani, Sean Parkin, Peter A. Crooks
Chemistry Faculty Publications
The title compound, C19H17N3O3S (I), was prepared by a [3 + 2]cycloaddition azide condensation reaction using sodium azide and l-proline as a Lewis base catalyst. N-Methylation of compound (I) using CH3I gave compound (II), C20H19N3O3S. The benzothiophene ring systems in (I) and (II) are almost planar, with r.m.s deviations from the mean plane = 0.0205 (14) in (I) and 0.016 (2) Å in (II). In (I) and (II), the triazole rings make dihedral angles of 32.68 (5) and 10.43 (8)°, respectively, …