A supramolecular analog of cyclohexane sustained by aromatic C–H···π interactions between ferrocene moieties: molecular packing of ferrocene-containing thiosemicarbazato metal complexes

2000 ◽  
Vol 24 (9) ◽  
pp. 697-701 ◽  
Author(s):  
Fang Chen-jie ◽  
Duan Chun-ying ◽  
He Cheng ◽  
Han Gang ◽  
Meng Qing-jin
Keyword(s):  
Metal Complexes ◽  
Molecular Packing ◽  
Π Interactions

N- and P-Type Building Blocks for Organic Electronics Based on Oligothiophene Cores

2003 ◽  
Vol 771 ◽  
Author(s):  
Antonio Facchetti ◽  
Myung-Han Yoon ◽  
Howard E. Katz ◽  
Melissa Mushrush ◽  
Tobin J. Marks
Keyword(s):  
Organic Semiconductors ◽  
Organic Electronics ◽  
Carrier Mobility ◽  
Building Blocks ◽  
Molecular Packing ◽  
Conjugation Length ◽  
Π Interactions ◽  
P Type ◽  
The Impact ◽  
Homo Lumo

AbstractOrganic semiconductors exhibiting complementary-type carrier mobility are the key components for the development of the field of “gplastic electronics” We present here a novel series of α,ω- and isomerically pure ββ'-diperfluorohexyl-substituted thiophene and study the impact of fluoroalkyl substitution and conjugation length vis-a-vis the corresponding fluorinefree analogues. Trends between the fluorinated and fluorine-free families in molecular packing, HOMO-LUMO gap, and π-π interactions are found to be strikingly similar. TFT measurements indicate that all members of the fluorinated series are n-type semiconductors

scholarly journals 1,4-Bis(4-methoxyphenyl)naphthalene

IUCrData ◽  
2020 ◽  
Vol 5 (2) ◽  
Author(s):  
R. Manickam ◽  
G. Jagadeesan ◽  
J. Karunakaran ◽  
G. Srinivasan
Keyword(s):  
Ring System ◽  
Molecular Packing ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Naphthalene Derivative ◽  
Π Interactions ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Supramolecular Chains

The title naphthalene derivative, C24H20O2, features 4-methyoxy-substituted benzene rings in the 1 and 4 positions of the naphthalene ring system. There are two crystallographically independent molecules (A and B) in asymmetric unit. The independent molecules have very similar conformations in which the naphthalene ring systems are only slightly bent, exhibiting dihedral angles between the constituent benzene rings of 3.76 (15) and 3.39 (15)° for A and B, respectively. The pendent 4-methyoxybenzene rings are splayed out of the plane through the naphthalene ring system to which they are connected [range of dihedral angles = 59.63 (13) to 67.09 (13)°]. In the crystal, the molecular packing is consolidated by intermolecular C—H...π interactions, leading to supramolecular chains along the b axis. The chains assemble without directional interactions between them.

scholarly journals 4,5-Diferrocenyl-1,2-dithiol-3-one

IUCrData ◽  
2018 ◽  
Vol 3 (5) ◽  
Author(s):  
Jessica J. Sánchez García ◽  
Marcos Flores-Alamo ◽  
Elena I. Klimova
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Packing ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions

The title compound, [Fe2(C5H5)2(C13H8OS2)], crystallizes with two molecules in the asymmetric unit. Each molecule comprises a pair of ferrocenyl units bridged by a dithiol-3-one moiety. The dihedral angles between the dithiol-3-one ring and the substituted cyclopentadienyl rings are in the range 32.4 (3)–39.3 (3)°. One of the dithiol-3-one rings was refined as being disordered over two sets of sites while the same kind of disorder in the other molecule was negligible. The molecular packing is dominated by C—H...O hydrogen bonds and C—H...π interactions.

Stacking interactions of the methylated cyclopentadienyl ligands in the crystal structures of transition metal complexes

2020 ◽  
Vol 76 (2) ◽  
pp. 252-258 ◽  
Author(s):  
Dušan P. Malenov ◽  
Jelena P. Blagojević Filipović ◽  
Snežana D. Zarić
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Transition Metal Complexes ◽  
Electrostatic Potential ◽  
Stacking Interactions ◽  
Cyclopentadienyl Ligands ◽  
Π Interactions ◽  
Structural Database ◽  
Oppositely Charged

In the crystal structures of methylated cyclopentadienyl (Cp) complexes (MeCp, Me4Cp and Me5Cp) deposited in the Cambridge Structural Database, certain orientation types of stacked contacts can be noted as the most frequent. These orientation preferences can be well explained by the matching of oppositely charged regions of electrostatic potential. Parallel displaced stacking, large offset stacking and C—H...π interactions are the dominant interaction types that are responsible for the arrangement in the crystal structures of stacked methylated Cp complexes.

scholarly journals 1-Ethyl-5-nitro-1H-indazole

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Mohammed Boulhaoua ◽  
Mohamed El Hafi ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Molecular Packing ◽  
Ethyl Group ◽  
Π Interactions ◽  
Centroid Distance ◽  
Title Molecule ◽  
Supramolecular Chains

In the title molecule, C9H9N3O2, the nitro substituent is twisted by 4.0 (2)° out of the plane of the indazolyl moiety; the ethyl group is perpendicular to the indazolyl plane, with the N—N—C—C torsion angle being 101.4 (2)°. In the molecular packing, C—H...O hydrogen bonds lead to supramolecular chains along [001]. Globally, molecules assemble into layers in thebcplane. π–π interactions between five- and six-membered rings consolidate the three-dimensional packing [inter-centroid distance = 3.591 (1) Å]. The sample was refined as an inversion twin.

Cover Picture: π-π Interactions: Influence on Molecular Packing and Solid-State Emission of ESIPT and non-ESIPT Motifs (Asian J. Org. Chem. 7/2016)

2016 ◽  
Vol 5 (7) ◽  
pp. 834-834 ◽  
Author(s):  
Vikas S. Padalkar ◽  
Daisuke Sakamaki ◽  
Kenji Kuwada ◽  
Akifumi Horio ◽  
Haruka Okamoto ◽  
...  
Keyword(s):  
Solid State ◽  
Molecular Packing ◽  
Π Interactions
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