Results 21 to 30 of about 580,876 (195)

Crystal structure of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-phenyl-2,5-dihydrofuran-2-one

Acta Crystallographica Section E, 2014
In the title compound, C13H14O5, the furan ring is essentially planar [maximum deviation = 0.031 (3) Å] with a stereogenic center (R) at the sp3 hybridized C atom. The C atom bearing the dihydroxy ethyl group is S.
Santosh R. Kote, Shankar R. Thopate, Sushil K. Gupta, Ray J. Butcher   +3 more
doaj   +1 more source

Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine [PDF]

, 2000
The title compounds, C₁₂H₁₃NO₄, are derived from L-threonine and DL-threonine, respectively. Hydrogen bonding in the chiral derivative, (2S/3R)-3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid, consists of O-Hacid...Oalkyl-H...O=Cindole chains [O...O 2 ...
Brady, Fiona, Gallagher, John F., Murphy, Carol   +2 more
core   +1 more source

Crystal structure of aquachloridobis(2-ethoxy-6-formylphenolato-κ2O1,O6)iron(III) acetonitrile hemisolvate

Acta Crystallographica Section E, 2014
In the title compound, [Fe(L)2Cl(H2O)]·0.5CH3CN, (HL is 3-ethoxy-2-hydroxy-benzaldehyde, C9H10O3), there are two independent complex molecules and one acetonitrile solvent molecule in the asymmetric unit.
Xi-Fu Jiang, Ru-Xia Zhao, Shu-Hua Zhang
doaj   +1 more source

Crystal structure of 2-pentyloxybenzamide

Acta Crystallographica Section E, 2014
In the title molecule, C12H17NO2, the amide NH2 group is oriented toward the pentyloxy substituent and an intramolecular N—H...O hydrogen bond is formed with the pentyloxy O atom.
Bernhard Bugenhagen, Yosef Al Jasem, Thies Thiemann   +2 more
doaj   +1 more source

Crystal structures of N ′-Aminopyridine-2-carboximidamide and N ′-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide [PDF]

, 2017
© Eya'ane Meva et al. 2017. The crystal structures of N,-Aminopyridine-2-carboximidamide (C 6 H 8 N 4 ), 1, and N,-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide (C 13 H 13 N 5 ), 2, are described.
Evans, David John, Mang, Emmanuel Roland, Meva, Francois Eya'ane, Prior, Timothy John   +3 more
core   +2 more sources

Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromophenyl N-(pyridin-3-yl)carbamate monohydrates

Acta Crystallographica Section E: Crystallographic Communications, 2015
The title carbamate monohydrates, C13H12N2O2·H2O and C12H9BrN2O2·H2O, form isomorphous crystals that are isostructural in their primary hydrogen-bonding modes.
Pavle Mocilac, John F. Gallagher
doaj   +1 more source

Structural and dipolar fluctuations in liquid water: a Car–Parrinello molecular dynamics study [PDF]

, 2016
A Car–Parrinello molecular dynamics simulation was performed to investigate the local tetrahedral order, molecular dipole fluctuations and their interrelation with hydrogen bonding in liquid water.
Guàrdia Manuel, Elvira, Masia, Marco, Skarmoutsos, Ioannis   +2 more
core   +2 more sources

“Hydridic Hydrogen-Bond Donors” Are Not Hydrogen-Bond Donors [PDF]

Journal of the American Chemical Society
Herein, we dismiss a recent proposal by Civiš, Hobza, and co-workers to modify the IUPAC definition of hydrogen bonds in order to expand the scope from protonic Y-Hδ+ to hydridic Y-Hδ- hydrogen-bond donor fragments [J. Am. Chem. Soc. 2023, 145, 8550].
Lucas de Azevedo Santos, Pascal Vermeeren, F. Matthias Bickelhaupt, Célia Fonseca Guerra   +3 more
openaire   +4 more sources

Profiling Hydrogen-Bond Conductance via Fixed-Gap Tunnelling Sensors in Physiological Solution

Chemosensors
Hydrogen bonding, a prevalent molecular interaction in nature, is crucial in biological and chemical processes. The emergence of single-molecule techniques has enhanced our microscopic understanding of hydrogen bonding.
Biao-Feng Zeng, Canyu Yan, Ye Tian, Yuxin Yang, Long Yi, Shiyang Fu, Xu Liu, Cuifang Kuang, Longhua Tang   +8 more
doaj   +1 more source

Three-body Hydrogen Bond Defects Contribute Significantly to the Dielectric Properties of the Liquid Water-Vapor Interface

, 2018
In this Letter, we present a simple model of aqueous interfacial molecular structure and we use this model to isolate the effects of hydrogen bonding on the dielectric properties of the liquid water-vapor interface. By comparing this model to the results
Shin, Sucheol, Willard, Adam P.
core   +2 more sources