Results 41 to 50 of about 3,122,862 (161)

N′-[(1Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)ethyl]-2-[(4-methylphenyl)sulfanyl]acetohydrazide

IUCrData, 2017
In the title compound, C21H22N4O2S, the dihedral angle between the pyrazole ring and adjacent benzene ring is 6.4 (1)°. The molecular conformation is influenced by intramolecular N—H...O and C—H...O hydrogen bonds.
Shaaban K. Mohamed, Joel T. Mague, Mehmet Akkurt, Mohamed S. Abbady, Etify A. Bakhite, Mustafa R. Albayati   +5 more
doaj   +1 more source

How Different Are Aromatic π Interactions from Aliphatic π Interactions and Non-π Stacking Interactions?

, 2016
We compare aromatic π interactions with aliphatic π interactions of double- and triple-bonded π systems and non-π stacking interactions of single-bonded σ systems.
Kwang S. Kim (36900), N. Jiten Singh (1856614), S. Karthikeyan (642953)   +2 more
core   +1 more source

Energetics of π-π Stacking Interactions: Implications in the Phase Separation of Intrinsically Disordered Proteins

, 2021
π-π stacking interactions are found throughout the proteome and have been shown to play a role in the liquid-liquid phase separation of intrinsically disordered proteins; however, the structural and energetic properties of π-π interactions that drive ...
Guljas, Andrea
core   +1 more source

Self-assembly of supermolecular species directed by hydrogen bonding and aromatic π–π stacking interactions

Eclética Química, 2018
A new Cu(II) trimers, [Cu3(dcp)2(H2O)8]. 4DMF, with the ligand 3,5-pyrazoledicarboxylic acid monohydrate (H3dcp) has been prepared by solvent method. Its solid-state structure has been characterized by elemental analysis, thermal analysis (TGA and DSC ...
X. H. Li, A. F. Jalbout, W. D. Xiang
doaj   +1 more source

(2E)-2-(1,3-Benzothiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile

Acta Crystallographica Section E, 2014
The molecular conformation of title compound, C12H11N3S, is almost planar [maximum deviation = 0.063 (2) Å]; an intramolecular C—H...N hydrogen bond is noted.
Shaaban K. Mohamed, Mehmet Akkurt, Benson M. Kariuki, Ali M. Ali, Mustafa R. Albayati   +4 more
doaj   +1 more source

Double Hydrogen Bond- and π−π-Stacking-Assembled Two-Dimensional Copper(I) Complex of 2-Hydroxyquinoxaline

, 2016
Double Hydrogen Bond- and π−π-Stacking-Assembled Two-Dimensional Copper(I) Complex of 2 ...
Megumu Munakata (2495926), Mikiko Yamamoto (2973789), Jie Dai (54224), Masahiko Maekawa (628677), Takayoshi Kuroda-Sowa (2085043), Yusaku Suenaga (2495923)   +5 more
core   +1 more source

1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-benzo[d][1,2,3]triazole

IUCrData, 2016
The title molecule, C23H20N6OS, adopts a cup-shaped conformation with the planes of the two benzene rings and the benzotriazole unit close to being parallel. The crystal packing features C—H...π(ring) and offset π–π stacking interactions.
Shaaban K. Mohamed, Elham A. Al-Taifi, Mehmet Akkurt, Joel T. Mague, Etify M. Bakhite   +4 more
doaj   +1 more source

Anisotropic Dynamic Disorder of π‐Stacking and Static Disorder in Organic Electron Transporting Materials with Isomorphic Crystal Structures

Small Structures
In organic semiconductors, charge transport is strongly correlated with intermolecular π–π interactions and the dynamic disorder caused by solid‐state phonon vibrations.
Chae‐Won Lee, Uros Puc, Jeong Hyeon Lee, Na Young Cho, Jong Bum Lee, Yun‐Sang Lee, Jin Chul Kim, Woojin Yoon, Hoseop Yun, Seokhoon Jang, Youngu Lee, Jong H. Kim, Sang Kyu Kwak, Mojca Jazbinsek, O‐Pil Kwon   +14 more
doaj   +1 more source

10-Methyl-9,11-annulated dibenzobarrelene

IUCrData, 2018
In the title compound (systematic name: 8-methyl-16-oxapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9(14),10,12,18-heptaen-15-one), C19H14O2, the benzene rings form a dihedral angle of 64.84 (7)°.
Tomson Devassia, Eason M. Mathew, M. Sithambaresan, P. A. Unnikrishnan, M. R. Prathapachandra Kurup   +4 more
doaj   +1 more source

tert-Butyl 2,3-dihydro-1H-cyclopenta[b]indole-4-carboxylate

IUCrData, 2016
In the title molecule, C16H19NO2, all the non-hydrogen atoms except two of the C atoms of the tert-butyl group lie on a crystallographic mirror plane. No classical hydrogen bonds are observed.
Jason A. Jordon, Jeanese C. Badenock, Gordon W. Gribble, Manpreet Kaur, Jerry P. Jasinski   +4 more
doaj   +1 more source