The crystal structure of 2,6-di-tert-butyl-4-(phenyl(phenylsulfonyl)methyl)phenol, C27H32O3S

Liu, Zhang-Qin; Tang, Min; Zhang, Liangdong; You, Peng-Sheng; Liu, Sheng-Shu

doi:10.1515/ncrs-2019-0059

Cited by 1 publication

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“…Comparisons of these results with the literature suggests that the geometry of each structure component is unexceptional, for example the selected bond lengths and angles agree with a previous phosphine bearing 3,5- tert butylphenyl groups . Likewise, phenyl rings bearing 4-OSi(CH 3 ) 3 ,, and 4-OH − substituents are found to be comparable to those found in similar structures in the indicated literature.…”

Section: Results and Discussionsupporting

confidence: 80%

Frustrated and Realized Hydrogen Bonding in 4-Hydroxy-3,5-ditertbutylphenylphosphine Derivatives

Marszaukowski

Boeré

Wohnrath

2022

Crystal Growth & Design

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Synthesis and molecular and supramolecular structures of a series of triarylphosphines P(Ph) 3−n {4-RO-3,5-( t Bu) 2 -C 6 H 2 } n (n = 1, 3; R = SiMe 3 , H) are reported. Chemical oxidation products E=P(Ph) 3−n {4-RO-3,5-( t Bu) 2 -C 6 H 2 } n (E = O, S, and Se; n = 1, 3; R = SiMe 3 , H) are also reported. Crystal structures of the reported compounds were determined by single-crystal X-ray diffraction, using a Hirshfeld atom refinement with NoSpherA2 through OLEX2, which provides an average improvement in C−C bond distance precision of 35%. Phosphine basicity for the phosphines with n = 1, R = H and n = 3, R = SiMe 3 , H was determined using the 1 J P,Se values of the respective selenides; 1 J P,Se = 699 Hz for E = Se, n = 3, and X = H identifies the most basic triarylphosphine ever reported. Intermolecular interactions allow classification of the 17 structures into 4 categories: those with only dispersion-induced short contacts, those with frustration of H-bonding, those with only classic H-bonding, and those with combinations of classic and frustration of H-bonding. A "double phenol embrace" classified by an R 2 2 (4) graph set is a weak intermolecular synthon organizing lattices with 2,6-ditertbutylphenol functional groups. Classic H-bonding occurs only when E = O.

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Section: Results and Discussionsupporting

confidence: 80%

Frustrated and Realized Hydrogen Bonding in 4-Hydroxy-3,5-ditertbutylphenylphosphine Derivatives

Marszaukowski

Boeré

Wohnrath

2022

Crystal Growth & Design

View full text Add to dashboard Cite

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The crystal structure of 2,6-di-tert-butyl-4-(phenyl(phenylsulfonyl)methyl)phenol, C₂₇H₃₂O₃S

Abstract: C27H32O3S, triclinic, P1̄, a = 12.2441(2) Å, b = 14.9350(2) Å, c = 15.2081(3) Å, α = 73.6710(16)°, β = 70.1267(17)°, γ = 70.7828(15)°, V = 2424.41(8) Å3, Z = 4, Rgt(F) = 0.0442, wRref(F2) = 0.1319, T = 297.1(2) K.

Cited by 1 publication

References 13 publications

Frustrated and Realized Hydrogen Bonding in 4-Hydroxy-3,5-ditertbutylphenylphosphine Derivatives

Frustrated and Realized Hydrogen Bonding in 4-Hydroxy-3,5-ditertbutylphenylphosphine Derivatives

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