Results 51 to 60 of about 166,291 (161)
Electrostatically Driven CO−π Aromatic Interactions [PDF]
, 2019 A series of N-arylimide molecular balances were developed to study and measure carbonyl–aromatic (CO−π) interactions. Carbonyl oxygens were observed to form repulsive interactions with unsubstituted arenes and attractive interactions with electron ...
Ken D. Shimizu +17 more
core +3 more sources
Crystal structure of 10-ethyl-7-(9-ethyl-9H-carbazol-3-yl)-10H-phenothiazine-3-carbaldehyde
Acta Crystallographica Section E: Crystallographic Communications, 2017 The title compound, C29H24N2OS, contains a phenothiazine moiety linked to a planar carbazole unit (r.m.s. deviation = 0.029 Å) by a C—C single bond. The phenothiazine moiety possesses a typical non-planar butterfly structure with a fold angle of 27.36 (9)
Vairavan Mahalakshmi +4 more
doaj +1 more source
Evaluating How Discrete Water Molecules Affect Protein–DNA π–π and π+–π Stacking and T-Shaped Interactions: The Case of Histidine-Adenine Dimers [PDF]
, 2016 Changes in the magnitude of (M06-2X/6-31+G(d,p)) π–π stacking and T-shaped (nucleobase-edge and amino acid-edge) interactions between (neutral or protonated) histidine (His) and adenine (A) dimers upon microsolvation with up to four discrete water ...
Stacey D. Wetmore (696456) +3 more
core +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 +4 more
doaj +1 more source
Hydrogen and Lithium Bonds—Lewis Acid Units Possessing Multi-Center Covalent Bonds
Molecules, 2021 MP2/aug-cc-pVTZ calculations were carried out on complexes wherein the proton or the lithium cation is located between π-electron systems, or between π-electron and σ-electron units.
Mohammad Aarabi +2 more
doaj +1 more source
Catalysis with Anion–π Interactions [PDF]
, 2013 The conclusion is inevitable: Increasing stabilization of an anionic transition state with increasing π-acidity of the catalyst is observed; thus, anion–π interactions can contribute to ...
Jiri Mareda +15 more
core +1 more source
Cation-π vs. π-π interactions: Complexes of 2-pyridinylguanidinium derivatives and aromatic systems [PDF]
, 2015 We have theoretically studied, using PCM-water solvation, the cation-π and π-π complexes established by the biologically relevant 5-substituted 2-pyridinylguanidinium derivatives and electron-rich and electron-depleted aromatic systems (benzene and ...
Kelly, B. +3 more
core +1 more source
Search for the R(3520) crypto-exotic state at BABAR [PDF]
, 2008 This thesis was submitted for the degree of Doctor of Philosophy and awarded by Brunel University.Motivated by the recent discoveries of exotic and possible crypto-exotic states, presented in this thesis is an inclusive search for the production of a ...
Sherwood, Daniel
core
Acta Crystallographica Section E: Crystallographic CommunicationsIn the title compound, C16H17BF2N2OSi, the molecular conformation is consolidated by an intramolecular C—H...O hydrogen bond, forming an S(6) motif. In the crystal, pairs of molecules are connected by C—H...π and π–π interactions [centroid-to-centroid ...
Dmitriy M. Shchevnikov +6 more
doaj +1 more source
IUCrData, 2017 The title molecule, C22H19N3O2, is a new polymorphic modification, viz. the β-phase; the α-phase has been previously published [Liang & Wang (2010). Acta Cryst. E66, o1968–o1969].
Shaaban K. Mohamed +4 more
doaj +1 more source