The interplay of non-covalent interactions determining the antiparallel conformation of (isocyanide)gold(i) dimers

CrystEngComm ◽  
2018 ◽  
Vol 20 (28) ◽  
pp. 3987-3993 ◽  
Author(s):  
Jorge Echeverría

Ligand⋯ligand contacts, including a novel n → π* interaction involving an isocyanide group as the acceptor, determine the persistent antiparallel conformation of dimers of (isocyanide)Au(i) complexes in their crystal structures.

Molecules ◽  
2018 ◽  
Vol 23 (3) ◽  
pp. 572 ◽  
Author(s):  
Matteo Savastano ◽  
Carla Bazzicalupi ◽  
Palma Mariani ◽  
Antonio Bianchi

2016 ◽  
Vol 72 (12) ◽  
pp. 1762-1767
Author(s):  
Angélica Navarrete Guitérrez ◽  
Gerardo Aguirre Hernández ◽  
Sylvain Bernès

The crystal structures of four bromoarenes based on 2,6-dimethylbromobenzene are reported, which are differentiated according the functional groupXplacedparato the Br atom:X= CN (4-bromo-3,5-dimethylbenzonitrile, C9H8BrN), (1),X= NO2(2-bromo-1,3-dimethyl-5-nitrobenzene, C8H8BrNO2), (2),X= NH2(4-bromo-3,5-dimethylaniline, C8H10BrN), (3) andX= OH (4-bromo-3,5-dimethylphenol, C8H9BrO), (4). The content of the asymmetric unit is different in each crystal,Z′ = ½ (X= CN),Z′ = 1 (X= NO2),Z′ = 2 (X= NH2), andZ′ = 4 (X= OH), and is related to the molecular symmetry and the propensity ofXto be involved in hydrogen bonding. In none of the studied compounds does the crystal structure feature other non-covalent interactions, such as π–π, C—H...π or C—Br...Br contacts.


CrystEngComm ◽  
2020 ◽  
Vol 22 (1) ◽  
pp. 95-104
Author(s):  
Nicole Parra-Muñoz ◽  
Paulina I. Hidalgo ◽  
Gerardo Ripoll ◽  
Julio Belmar ◽  
Jorge Pasán ◽  
...  

Crystal structures of seven new Ag(i) complexes with bis(1-isoquinolinecarboxamide)alkane derivatives were analyzed in terms of the coordinative ability and participation in non-covalent interactions of several counterions.


2017 ◽  
Vol 46 (37) ◽  
pp. 12456-12465 ◽  
Author(s):  
Guillermo Moreno-Alcántar ◽  
Kristopher Hess ◽  
José Manuel Guevara-Vela ◽  
Tomás Rocha-Rinza ◽  
Ángel Martín Pendás ◽  
...  

Experimentally observed gold bonding interactions in crystal structures were examined through wavefunction analyses, such as QTAIM and the NCI-index.


2020 ◽  
Vol 76 (8) ◽  
pp. 1311-1315
Author(s):  
Andrew Hulsman ◽  
Isabel Lorenzana ◽  
Theodore Schultz ◽  
Breezy Squires ◽  
Brock A. Stenfors ◽  
...  

The syntheses and crystal structures of the two title compounds, C11H10O3 (I) and C17H14BrNO2 (II), both containing the bicyclo[2.2.2]octene ring system, are reported here [the structure of I has been reported previously: White & Goh (2014). Private Communication (refcode HOKRIK). CCDC, Cambridge, England]. The bond lengths and angles of the bicyclo[2.2.2]octene ring system are similar for both structures. The imide functional group of II features carbonyl C=O bond lengths of 1.209 (2) and 1.210 (2) Å, with C—N bond lengths of 1.393 (2) and 1.397 (2) Å. The five-membered imide ring is nearly planar, and it is positioned exo relative to the alkene bridgehead carbon atoms of the bicyclo[2.2.2]octene ring system. Non-covalent interactions present in the crystal structure of II include a number of C—H...O interactions. The extended structure of II also features C—H...O hydrogen bonds as well as C—H...π and lone pair–π interactions, which combine together to create supramolecular sheets.


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