Results 71 to 80 of about 142,813 (213)
N,N-Diethyl-N′-phenylacetylthiourea
Acta Crystallographica Section E, 2008 The title thiourea molecule, C13H18N2OS, adopts a folded conformation due to the steric hindrance of the two ethyl groups and the acetyl group. In the crystal structure, the acetyl O atom is not involved in hydrogen bonding, but intermolecular N—H..
Liang Xian
doaj +1 more source
Structural relaxation in a system of dumbbell molecules
, 2002 The interaction-site-density-fluctuation correlators, the dipole-relaxation functions, and the mean-squared displacements of a system of symmetric dumbbells of fused hard spheres are calculated for two representative elongations of the molecules within ...
A. Tölle +23 more
core +1 more source
Frontiers in Chemistry, 2019 Carbazole (Cz) is the one of the most popular electron donors to develop thermally activated delayed fluorescence (TADF) emitters, but additional groups are generally required in the molecules to enhance the steric hindrance between Cz and electron ...
Jia-Lin Cai +8 more
doaj +1 more source
Advances in structures required of polyphenols for xanthine oxidase inhibition
Food Frontiers, 2020 Polyphenols have been used as natural medicaments for the management of hyperuricemia for a long history. They have been attracted many interests because of the little side effects in curing hyperuricemia, which is an important advantage over the ...
Liangliang Liu +3 more
doaj +1 more source
Steric hindrance in the upper 50 kDa domain of the motor Myo2p leads to cytokinesis defects in fission yeast [PDF]
, 2017 Cytokinesis in many eukaryotes requires a contractile actomyosin ring that is placed at the division site. In fission yeast, which is an attractive organism for the study of cytokinesis, actomyosin ring assembly and contraction requires the myosin II ...
Balasubramanian, Mohan K. +5 more
core +1 more source
2-(2-Nitrophenyl)-1,3-dioxan-5-ol
Acta Crystallographica Section E, 2009 In the title compound, C10H11NO5, the six-membered 1,3-dioxane ring displays a chair conformation, with the hydroxy and 2-nitrophenyl groups in equatorial positions, which minimizes steric hindrance. In the crystal, molecules are linked into chains along
Jin Chen +3 more
doaj +1 more source
Steric effect of intermediates induces formation of three-dimensional covalent organic frameworks
Nature CommunicationsConstructing three-dimensional covalent organic frameworks (3D COFs) remains a significant challenge compared to other areas of reticular chemistry. Most existing methods for constructing 3D COFs emphasize the necessity of at least one precursor being ...
Jiawei Lai +5 more
doaj +1 more source
New Indole compounds with acidic terminal
Academic Science JournalIndoles are important heterocyclic molecules modified by many researchers to a lot of derivatives used in all the fields of the life including medical, therapeutic and industrial application.
Israa N. Hamdi +2 more
doaj +1 more source
In pursuit of β-amino α-nitro β-trifluoromethyl ketones: nitro-Mannich vs Mannich-type reactions [PDF]
, 2017 The reactivity of alfa-nitro ketones with trifluoromethyl aldimines is studied for the first time. While under nitro-Mannich conditions only the facial stereoselectivity can be controlled, organocatalysed Mannich-type reactions allowed a complete control
Ballini +45 more
core +1 more source
Steric Maps to Evaluate the Role of Steric Hindrance on the IPr NHC Ligand
Procedia Computer Science, 2013 AbstractDensity functional theory (DFT) calculations were used to predict and rationalize the effect of the modification of the structure of the prototype 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) (IPr) N-heterocyclic carbene (NHC) ligand. The modification consists in the substitution of the methyl groups of ortho isopropyl substituent with ...
Laura Falivene +6 more
openaire +3 more sources