Results 21 to 30 of about 304,130 (295)

(E)-Benzyl 2-{4-[ethyl(2-hydroxyethyl)amino]benzylidene}hydrazinecarbodithioate

IUCrData, 2021
In the title compound, C19H23N3OS2, the dihedral angle between the aromatic rings is 86.80 (8)° and the tertiary amine grouping is almost planar (bond-angle sum at the N atom = 360.0°).
Hui Guo, Wenli Du, Haoyu Zhou
doaj   +1 more source

Intermolecular interactions in a phenol-substituted benzimidazole

Acta Crystallographica Section E: Crystallographic Communications, 2019
Hydrogen bonding plays an important role in the design of solid-state structures and gels with desirable properties. 1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1H-benzimidazole was isolated as the acetone disolvate, C22H20N2O2·2C3H6O.
David K. Geiger, H. Cristina Geiger, Shawn M. Moore   +2 more
doaj   +1 more source

Versatility of the Cyano Group in Intermolecular Interactions

Molecules, 2020
Several cyano groups are added to an alkane, alkene, and alkyne group so as to construct a Lewis acid molecule with a positive region of electrostatic potential in the area adjoining these substituents.
Steve Scheiner
doaj   +1 more source

The Effect of Deoxyfluorination on Intermolecular Interactions in the Crystal Structures of 1,6-Anhydro-2,3-epimino-hexopyranoses

Molecules, 2022
The effect of substitution on intermolecular interactions was investigated in a series of 1,6-anhydro-2,3-epimino-hexopyranoses. The study focused on the qualitative evaluation of intermolecular interactions using DFT calculations and the comparison of ...
Martin Jakubec, Ivana Císařová, Jindřich Karban, Jan Sýkora   +3 more
doaj   +1 more source

tert-Butyl 5-methoxy-3-pentylindole-1-carboxylate [PDF]

, 2004
he molecule of the title compound, C₁₉H₂₇NO₃, is essentially planar, with all non-H atoms within 0.2 Å of the nine-membered indole plane, except for the three tert-butyl C atoms.
Coleman, Claire M., Gallagher, John F., O'Shea, Donal F.   +2 more
core   +1 more source

Intermolecular Interactions and Quantum Interference Effects in Molecular Junctions [PDF]

ACS Nanoscience Au
Louise O. H. Hyllested, Idunn Prestholm, Gemma C. Solomon   +2 more
doaj   +2 more sources

2,3-Bis(bromomethyl)-1,4-diphenylbenzene [PDF]

, 2009
In the title compound, C(20)H(16)Br(2), the terminal phenyl groups are twisted away from the central ring by approximately 55 and -125 degrees (average of four dihedral angles each), respectively.
Briggs, Jonathan B, Jazdzyk, Mikael D., Miller, Glen P.   +2 more
core   +4 more sources

Dynamics of the dispersion interaction in an energy transfer system [PDF]

, 2008
On the propagation of resonant radiation through an optically dense system, photon capture is commonly followed by one or more near-field transfers of the resulting optical excitation.
Adronov, Alligood, Andrews, Andrews, Andrews, Andrews, Baumgartner, Bradshaw, Casimir, Cogdell, Cohen, Cotlet, David L. Andrews, David S. Bradshaw, Didraga, Duncan, Guldi, Hugel, Jamie M. Leeder, Jenkins, Justo Rodríguez, MacColl, Markvart, Melkozernov, Morawetz, Polivka, Power, Power, Power, Salam, Salam, Salam, Sapsford, Takahashi   +33 more
core   +1 more source

4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene

IUCrData, 2016
In the title compound, C14H11Cl2NO2, the dihedral angle between the phenyl rings is 8.60 (17)° and the nitro group makes a dihedral anle of 29.4 (4)° with its attached ring. The crystal structure features C—H...O hydrogen bonds and π–π interactions.
H. S. Yeshwanthkumar, P. Nagendra, B. P. Siddaraju, K. C. Chaluvaraju, K. Byrappa, N. K. Lokanath, S. Madan Kumar   +6 more
doaj   +1 more source

(2S)-4-Methyl-2-(1-oxo-1H-2,3-dihydroisoindol- 2-yl)pentanoic acid. [PDF]

, 2006
The title compound, C14H17NO3, exhibits carboxylic acid group disorder about the C—CO2 axis, with site occupancies of 0.79 (5):0.21 (5). Molecules are linked by intermolecular O—H O Ciso, C—H O Ciso and C—H (arene) interactions (iso ...
Brady, Fiona, Gallagher, John F.
core   +1 more source