Intramolecular coupling reaction of phosphino–thioenolato iron(II) complexes with alkynes. Crystal structure of [Fe{η3-Ph2P–CHC(But)S–CCHPh}(CO)(PMe3)2]BF4

1988 ◽  
pp. 1408-1409 ◽  
Author(s):  
Abdoulaye Samb ◽  
Bernard Demerseman ◽  
Pierre H. Dixneuf ◽  
Carlo Mealli
Keyword(s):  
Crystal Structure ◽  
Coupling Reaction

scholarly journals Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis

2002 ◽  
Vol 277 (49) ◽  
pp. 47476-47485 ◽  
Author(s):  
Katja Zerbe ◽  
Olena Pylypenko ◽  
Francesca Vitali ◽  
Weiwen Zhang ◽  
Severine Rouset ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Cytochrome P450 ◽  
Coupling Reaction

scholarly journals Crystal structure and Hirshfeld surface analysis of 1-[(E)-2-(5-chloro-2-hydroxyphenyl)hydrazin-1-ylidene]naphthalen-2(1H)-one

2021 ◽  
Vol 77 (6) ◽  
pp. 672-676
Author(s):  
Hassiba Bougueria ◽  
Souheyla Chetioui ◽  
Mohammed Abdellatif Bensegueni ◽  
Jean-Pierre Djukic ◽  
Nesrine Benarous
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Crystal Packing ◽  
Coupling Reaction ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Hydroxyl Group ◽  
Asymmetric Unit ◽  
Compound C

The title compound, C16H11ClN2O2, was obtained by diazotization of 2-amino-4-chlorophenol followed by a coupling reaction with β-naphthol. There are two molecules (A and B) in the asymmetric unit. The crystal structure features only one type of intermolecular interaction, that is strong hydrogen bonds involving the hydroxyl group. The naphthol and phenol fragments attached to the C=N—N— moiety exhibit an s-trans conformation. In addition, those fragments are almost coplanar, subtending a dihedral angle of 13.11 (2)° in molecule A and 10.35 (2)° in molecule B. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (32.1%), C...H/H...C (23.1%), Cl...H/H...Cl (15.2%), O...H/H...O (12.8%) and C...C (9%) contacts.

scholarly journals Crystal structure of 4′-bromo-2,3,5,6-tetrafluorobiphenyl-4-carbonitrile

2015 ◽  
Vol 71 (5) ◽  
pp. o347-o348 ◽  
Author(s):  
Ricarda Heckel ◽  
Jürg Hulliger ◽  
Anke Schwarzer ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Parent Compound ◽  
Coupling Reaction ◽  
Type Ii ◽  
Orthorhombic Space Group ◽  
Linear Arrangement ◽  
Compound C ◽  
Phenyl Rings ◽  
Nlo Materials

The title compound, C13H4BrF4N, synthesized from 1,4′-bromoiodobenzene and 4-bromo-2,3,5,6-tetrafluorobenzonitrile in a coupling reaction was found to crystallize in the orthorhombic space groupP212121. The two phenyl rings are rotated with respect to each other by 40.6 (6)°. The molecules interactviaaryl–perfluoroaryl stacking [3.796 (2) and 3.773 (2) Å], resulting in intermolecular chains along thea-axis direction. C—H...F contacts of about 2.45 Å connect these chains. In contrast to the structure of the parent compound 4′-bromobiphenyl-4-carbonitrile, CN...Br contacts that could have given rise to a linear arrangement of the biphenyl molecules desirable for non-linear optical (NLO) materials are not observed in the packing. Instead, several Br...F [3.2405 (17) and 3.2777 (18) Å] and F...F [2.894 (2) Å] contacts of side-on type II form an intermolecular network of zigzag chains. The crystal studied was refined as an inversion twin.

scholarly journals Synthesis and structure of a new bulky bis(alkoxide) ligand on a terphenyl platform

2022 ◽  
Vol 78 (1) ◽  
pp. 92-96
Author(s):  
Sudheer S. Kurup ◽  
Sandra Nasser ◽  
Cassandra L. Ward ◽  
Stanislav Groysman
Keyword(s):  
Crystal Structure ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Coupling Reaction ◽  
Hydroxyl Groups ◽  
Step Process

A new sterically bulky chelating bis(alkoxide) ligand 3,3′-([1,1′:4′,1′′-terphenyl]-2,2′′-diyl)bis(2,2,4,4-tetramethylpentan-3-ol), (H2[OO]tBu), was prepared in a two-step process as the dichloromethane monosolvate, C36H50O2·CH2Cl2. The first step is a Suzuki–Miyaura coupling reaction between 2-bromophenylboronic acid and 1,4-diiodobenzene. The resulting 2,2′′-dibromo-1,1′:4′,1′′-terphenyl was reacted with t BuLi and hexamethylacetone to obtain the desired product. The crystal structure of H2[OO]tBu revealed an anti conformation of the [CPh2(OH)] fragments relative to the central phenyl. Furthermore, the hydroxyl groups point away from each other. Likely because of this anti–anti conformation, the attempts to synthesize first-row transition-metal complexes with H2[OO]tBu were not successful.

Phenanthro[9,10-a]corannulene by one-step annulative π-extension of corannulene

2017 ◽  
Vol 95 (3) ◽  
pp. 329-333 ◽  
Author(s):  
Kenta Kato ◽  
Yasutomo Segawa ◽  
Kenichiro Itami
Keyword(s):  
Crystal Structure ◽  
Density Functional ◽  
Photophysical Properties ◽  
Coupling Reaction ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
X Ray ◽  
Palladium Catalyzed ◽  
One Step ◽  
The One

The one-step π-extension of corannulene was achieved using a palladium-catalyzed C–H coupling reaction. The X-ray crystal structure and photophysical properties of the thus formed phenanthro[9,10-a]corannulene (1) were investigated, and the structural properties of 1 were examined by density functional theory calculations. In contrast to dibenzo[g,p]chrysene, the most stable structure of 1 was a butterfly-shaped structure, resulting from the bowl-shaped distortion of the corannulene moiety.

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