scholarly journals Crystal structure of 1-ferrocenyl-2-(4-nitrophenyl)ethyne

2020 ◽  
Vol 76 (8) ◽  
pp. 1403-1406
Author(s):  
Sara M. Delgado Rivera ◽  
Jean C. González Espiet ◽  
Jesús M. Dones ◽  
Sebastián A. Henríquez López ◽  
Ana R. Guadalupe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Linear Extension ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Ferrocene Derivative ◽  
Space Group ◽  
Cross Coupling Reaction ◽  
Crystallographic Axes ◽  
Angle Of Rotation

The title ferrocene derivative, [Fe(C5H5)2(C8NO2)], including an alkyne bonded to a para-nitrophenyl substituent, which was synthesized from a copper-free Sonogashira cross-coupling reaction between ethynylferrocene and 4-bromo-1-nitrobenzene, crystallizes in the P21/n space group. In the ferrocene unit, the pentadienyl (Cps) rings are in an eclipsed conformation. The angle of rotation between the substituted cyclopentadienyl ring and the p-nitrophenyl group is 6.19 (10)°, yielding a quasi-linear extension of the ferrocenyl substitution. Important intermolecular interactions arise from π–π stacking between the Cp rings and the p-nitrophenyl, from corners of the Cp rings that are perpendicularly aligned, and between the O atoms from the nitro substituent and carbons at the corners of the Cp rings, propagating along all three crystallographic axes.

2,3,2′,3′-Tetramethylbiphenyl

2006 ◽  
Vol 62 (5) ◽  
pp. o2012-o2013
Author(s):  
Wei Zheng ◽  
Hong-Jun Zhu ◽  
Yi Qian ◽  
Yi-Zu Wu
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Boronic Acid ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Twofold Axis ◽  
Compound C ◽  
Cross Coupling Reaction ◽  
Palladium Catalyzed

The title compound, C16H18, was synthesized by a palladium-catalyzed boronic acid cross-coupling reaction. A crystallographic twofold axis passes through the mid-point of the C—C bond connecting the two rings. In the crystal structure, two fairly close C—H...π(arene) contacts appear to be the only significant intermolecular interactions.

2,2′-Bi[benzo[b]thiophene]: an unexpected isolation of the benzo[b]thiophene dimer

2014 ◽  
Vol 70 (6) ◽  
pp. 547-549
Author(s):  
Eugene Y. Cheung ◽  
Lewis D. Pennington ◽  
Michael D. Bartberger ◽  
Richard J. Staples
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Title Compound ◽  
Mother Liquor ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Crystal Structure Analysis ◽  
Spectroscopic Methods ◽  
Asymmetric Unit ◽  
Cross Coupling Reaction

The crystal structure of 2,2′-bi[benzo[b]thiophene], C16H10S2, at 173 K has triclinic (P\overline{1}) symmetry. It is of interest with respect to its apparent mode of synthesis, as it is a by-product of a Stille cross-coupling reaction in which it was not explictly detected by spectroscopic methods. It was upon crystal structure analysis of a specimen isolated from the mother liquor that this reaction was determined to give rise to the title compound, which is a dimer arising from the starting material. Two independent half-molecules of this dimer comprise the asymmetric unit, and the full molecules are generatedviainversion centers. Both molecules in the unit cell exhibit ring disorder, and they are essentially identical because of their rigidity and planarity.

Ferromagnetic Chain Based on Verdazyl-Nitroxide Diradical

2020 ◽  
Author(s):  
Evgeny Tretyakov ◽  
Svetlana Zhivetyeva ◽  
Pavel Petunin ◽  
Dmitry Gorbunov ◽  
Nina Gritsan ◽  
...  
Keyword(s):  
Coupling Reaction ◽  
Cross Coupling ◽  
Ferromagnetic Coupling ◽  
Nitronyl Nitroxide ◽  
Triplet Ground State ◽  
One Dimensional ◽  
Cross Coupling Reaction ◽  
Palladium Catalyzed ◽  
Ferromagnetic Chain ◽  
High Yields

<p>Verdazyl-nitroxide diradicals were synthesized using the palladium-catalyzed cross-coupling reaction of the corresponding iodoverdazyls with a nitronyl nitroxide-2-ide gold(I) complex with high yields (up to 82%). The synthesized diradicals were found to be highly thermally stable and have a singlet (D<i>E</i><sub>ST</sub> » -64 cm<sup>–1</sup>) or triplet ground state (D<i>E</i><sub>ST</sub> ³ 25 and 100 cm<sup>–1</sup>), depending on which canonical hydrocarbon diradical type they belong to. Upon crystallization, triplet diradicals form unique one-dimensional (1D) spin <i>S</i> = 1 chains of organic diradicals with intrachain ferromagnetic coupling of <i>J</i>′/<i>k</i><sub>B</sub> from 3 to 6 K.</p>

An Iron-Based Catalyst Enables The Enantioconvergent Synthesis of Chiral 1,1-Diarylalkanes Through a Suzuki-Miyaura Cross-Coupling Reaction

2020 ◽  
Author(s):  
Chet Tyrol ◽  
Nang Yone ◽  
Connor Gallin ◽  
Jeffery Byers
Keyword(s):  
Coupling Reaction ◽  
Cross Coupling ◽  
Coupling Reactions ◽  
Radical Intermediates ◽  
Cross Coupling Reactions ◽  
Cross Coupling Reaction ◽  
Boronic Esters ◽  
Carbon Centered Radical ◽  
Iron Based ◽  
High Yields

By using an iron-based catalyst, access to enantioenriched 1,1-diarylakanes was enabled through an enantioselective Suzuki-Miyaura crosscoupling reaction. The combination of a chiral cyanobis(oxazoline) ligand framework and 1,3,5-trimethoxybenzene additive were essential to afford high yields and enantioselectivities in cross-coupling reactions between unactivated aryl boronic esters and a variety of benzylic chlorides, including challenging ortho-substituted benzylic chloride substrates. Mechanistic investigations implicate a stereoconvergent pathway involving carbon-centered radical intermediates.

Ni(0)-Catalyzed α-Allylic Alkylation of Regular Ketones with 1,3-Dienes under pH and Redox-neutral Conditions

2019 ◽  
Author(s):  
Tiantian Chen ◽  
Yang Yang ◽  
Liyu Xie ◽  
Haijian Yang ◽  
Guangbin Dong ◽  
...  
Keyword(s):  
Oxidative Addition ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Dual Role ◽  
Allylic Alkylation ◽  
Cross Coupling Reaction ◽  
Neutral Conditions

<p>We report a Ni(0)-catalyzed cross coupling reaction between simple ketones and 1,3-dienes. A variety of a-allylic alkylation products were formed in an 1,2-addition manner with excellent regioselectivity. Water was found to significantly accelerate this transformation. A HO-Ni-H species generated from oxidative addition of Ni(0) to H<sub>2</sub>O is proposed to play a “dual role” in activating both the ketone and the diene substrate.</p>

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