Search Results - "Olivato, Paulo R"

Spectroscopic and theoretical studies of some 3-(4'-substituted phenylsulfanyl)-1-methyl-2-piperidones by Olivato, Paulo R, Santos, Jean M M, Contieri, Bruna, Cerqueira, Carlos R, Rodrigues, Daniel N S, Vinhato, Elisângela, Zukerman-Schpector, Julio, Colle, Maurizio Dal

“…The analysis of the IR carbonyl bands of some 3-(4'-substituted phenylsulfanyl)-1-methyl-2-piperidones 1-6 bearing substituents: NO₂ (compound 1), Br (compound…”
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1-Methyl-3,3-bis-(phenyl-sulfan-yl)piperidin-2-one by Caracelli, Ignez, Olivato, Paulo R, Cerqueira, Jr, Carlos R, Santos, Jean M M, Ng, Seik Weng, Tiekink, Edward R T

“…The piperidone ring in the title compound, C(18)H(19)NOS(2), is in a distorted half-chair conformation, distorted towards a twisted boat, with the central…”
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Spectroscopic and theoretical studies of some 2‑(methoxy)‑2‑[(4‑substituted)‑phenylsulfanyl]‑(4′‑substituted) acetophenones by Traesel, Henrique J., Olivato, Paulo R., Rodrigues, Daniel N.S., Valença, Jéssica, Rodrigues, Alessandro, Zukerman-Schpector, Julio, Colle, Maurizio Dal

“…The conformational analysis of some 2‑(methoxy)‑2‑[(4‑substituted)‑phenylsulfanyl]‑(4′‑substituted) acetophenones was performed through infrared (IR)…”
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1-Methyl-3,3-bis-[(4-methyl-phen-yl)sulfan-yl]piperidin-2-one by Zukerman-Schpector, Julio, Olivato, Paulo R, Cerqueira, Jr, Carlos R, Santos, Jean M M, Ng, Seik Weng, Tiekink, Edward R T

“…The piperidone ring in the title compound, C(20)H(23)NOS(2), has a half-chair distorted to a twisted-boat conformation [Q(T) = 0.5200 (17) Å]. One of the…”
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4-Methyl-3-(2-phenoxy-acet-yl)-5-phenyl-1,3,4-oxadiazinan-2-one by Zukerman-Schpector, Julio, Sousa Madureira, Lucas, Rodrigues, Alessandro, Vinhato, Elisângela, Olivato, Paulo R

“…The 1,3,4-oxadiazinane ring in the title compound, C(18)H(18)N(2)O(4), is in a twisted boat conformation. The two carbonyl groups are orientated towards the…”
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Conformational analysis of some N,N-diethyl-2-[(4′-substituted) phenylthio] acetamides by Vinhato, Elisângela, Olivato, Paulo R., Zukerman-Schpector, Julio, Dal Colle, Maurizio

“…•Conformational analysis of N,N-diethyl-2[(4′-substituted)phenylthio]acetamides.•Solvent effect on the conformational equilibrium through IR…”
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Conformational study of some 4′-substituted 2-(phenylselanyl)-2-(ethylsulfanyl)-acetophenones by Cerqueira, Carlos R., Olivato, Paulo R., Dal Colle, Maurizio

“…Most stable conformers: (c2) for compounds 1–4 and (c1) for compound 5. [Display omitted] •Conformational analysis of 4′-substituted…”
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Crystal structure of ethyl 4-methyl-2-oxo-5-phenyl-1,3,4-oxadiazinane-3-carboxylate, C13H16N2O4 by Caracelli, Ignez, Zukerman-Schpector, Julio, Rodrigues, Alessandro, Vinhato, Elisângela, Olivato, Paulo R., Tiekink, Edward R.T.

“…, orthorhombic, (no. 19), = 6.7876(2) Å, = 8.8984(2) Å, = 22.3399(6) Å, = 1349.30(6) Å , = 4, ) = 0.0384, ) = 0.0947, = 293(2) K…”
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Conformational Analysis and Electronic Interactions of Some 4′-Substituted-2-ethylthio-phenylacetates by Rodrigues, Daniel N. S, Ducati, Lucas C, Olivato, Paulo R, Dal Colle, Maurizio

“…The conformational analysis of various 4′-substituted-2-ethylthio-phenylacetate compounds bearing the substituents NO2 (1), Cl (2), H (3), Me (4), and OMe (5)…”
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Conformational analysis and electronic interactions of some 2-ethylsulfinyl-(4′-substituted)-phenylacetates by Rodrigues, Daniel N.S., Olivato, Paulo R., Rodrigues, Alessandro, Colle, Maurizio Dal

“…The analysis of the infrared carbonyl bands of some 2-ethylsulfinyl-(4′-substituted)-phenylacetates bearing the substituents NO2(1), Cl(2), Br(3), H(4), Me(5)…”
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Molecular Structures of Isomeric Ortho, Meta, and Para Bromo-Substituted α‑Methylsulfonyl-α-diethoxyphosphoryl Acetophenones by X‑ray and DFT Molecular Orbital Calculations by Rodrigues, Alessandro, Olivato, Paulo R, Zukerman-Schpector, Julio, Maganhi, Stella H, Reis, Adriana K. C. A, Tiekink, Edward R. T

“…The X-ray single crystal analysis of isomeric ortho, meta, and para bromo-substituted α-methylsulfonyl-α-diethoxyphosphoryl acetophenones showed that this…”
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2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry by Caracelli, Ignez, Zukerman-Schpector, Julio, Traesel, Henrique J., Olivato, Paulo R., Jotani, Mukesh M., Tiekink, Edward R. T.

“…The title compound, C 15 H 13 BrO 2 S, comprises three different substituents bound to a central (and chiral) methine-C atom, i.e . (4-bromophenyl)sulfanyl,…”
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2-[(4-Bromo-phen-yl)sulfan-yl]-2-meth-oxy-1-phenyl-ethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry by Caracelli, Ignez, Zukerman-Schpector, Julio, Traesel, Henrique J, Olivato, Paulo R, Jotani, Mukesh M, Tiekink, Edward R T

“…The title compound, C H BrO S, comprises three different substituents bound to a central (and chiral) methine-C atom, . (4-bromo-phen-yl)sulfanyl, benzaldehyde…”
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2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis by Caracelli, Ignez, Zukerman-Schpector, Julio, Traesel, Henrique J., Olivato, Paulo R., Jotani, Mukesh M., Tiekink, Edward R. T.

“…The title compound, C 15 H 13 ClO 2 S, comprises (4-chlorophenyl)sulfanyl, benzaldehyde and methoxy residues linked at a chiral methine-C atom (the crystal is…”
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Conformational study of some 4′-substituted 2-(phenylselanyl)-2-(ethylsulfonyl)-acetophenones by Cerqueira, Carlos R., Olivato, Paulo R., Rodrigues, Daniel N.S., Zukerman-Schpector, Julio, Tiekink, Edward R.T., Dal Colle, Maurizio

“…Most stable conformers (c1 and c2) in the gas phase and in solution for compounds 1–5. Y=NO2 (1), Br (2), H (3), Me (4), OMe (5). [Display omitted]…”
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2-[(4-Chloro-phen-yl)sulfan-yl]-2-meth-oxy-1-phenyl-ethan-1-one: crystal structure and Hirshfeld surface analysis by Caracelli, Ignez, Zukerman-Schpector, Julio, Traesel, Henrique J, Olivato, Paulo R, Jotani, Mukesh M, Tiekink, Edward R T

“…The title compound, C H ClO S, comprises (4-chloro-phen-yl)sulfanyl, benzaldehyde and meth-oxy residues linked at a chiral methine-C atom (the crystal is…”
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Spectroscopic and theoretical studies of some N, N-diethyl-2-[(4′-substituted)phenylsulfonyl]acetamides by Vinhato, Elisângela, Olivato, Paulo R., Rodrigues, Alessandro, Zukerman-Schpector, Julio, Colle, Maurizio Dal

“…► The preferred conformations of 2-substituted-acetamides were determined. ► Theoretical data showed the existence of cis and gauche conformers. ► The IR…”
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Spectroscopic and theoretical studies of some 2-substituted N-methoxy-N-methyl-amides by Olivato, Paulo R., Gomes, Roberto da Silva, Rodrigues, Alessandro, Domingues, Nelson L.C., Rittner, Roberto, Colle, Maurizio Dal

“…► Conformational analysis study of 2-substituted-N-methoxy-N-methyl-amides (Weinreb amides). ► IR study on the conformational equilibrium in solution. ► Fermi…”
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Conformational preferences for some 3-(4′-substituted phenylsulfonyl)-1-methyl-2-piperidones through spectroscopic and theoretical studies by Olivato, Paulo R., Santos, Jean M.M., Cerqueira, Carlos R., Vinhato, Elisângela, Zukerman-Schpector, Julio, Ng, Seik Weng, Tiekink, Edward R.T., Colle, Maurizio Dal

“…► Conformational analysis study of alpha-phenylsulfonyl-delta-valerolactams. ► Solvent effect on the conformational equilibrium through IR. ► Theoretical…”
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Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one by Zukerman-Schpector, Julio, Olivato, Paulo R., Traesel, Henrique J., Valença, Jéssica, Rodrigues, Daniel N. S., Tiekink, Edward R. T.

“…In the title β-thiocarbonyl compound, C 16 H 16 O 2 S, the carbonyl and methoxy O atoms are approximately coplanar [O—C—C—O torsion angle = −18.2 (5)°] and syn…”
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