Results 31 to 40 of about 557,741 (168)
Molecular dynamics study of low molecular weight gel forming salt-triggered dipeptide
Scientific Reports, 2023 AbstractMolecular dynamics simulation method was used to study the aggregation of Na and Ca salts in different concentrations of Naphthalene-dipeptide (2NapFF) solutions. The results show that high-valence Ca2+ triggers the formation of a gel at a certain dipeptide concentration, and the low-valence Na+ system follows the aggregation law of general ...
Xiangfeng Jia +7 more
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Crystal structure of 2-amino-5-nitropyridinium sulfamate
Acta Crystallographica Section E: Crystallographic Communications, 2015 The title molecular salt, C5H6N3O2+ ·H2NO3S−, was obtained from the reaction of sulfamic acid with 2-amino-5-nitropyridine. A proton transfer from sulfamic acid to the pyridine N atom occurred, resulting in the formation of a salt.
M. Ambrose Rajkumar +4 more
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Acta Crystallographica Section E: Crystallographic Communications, 2018 The crystal and molecular structures of the title molecular salts, C4H12NO+·C7H5N2O4−, (I), C6H16NO+·C7H5N2O4−, (II), and C4H12NO3+·C7H5N2O4−, (III), are described.
James L. Wardell, Edward R. T. Tiekink
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Crystals, 2011 The crystal structures of C5H14N2·HPO3·H2O (1) and C5H14N2·HPO3·2.23H2O (2) are described and compared. Compound 1 contains homochiral (S)-2-methyl piperizinium cations, hydrogen phosphite ions and water molecules.
William T. A. Harrison
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2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride
IUCrData, 2018 In the title salt, C18H18N3O+·Cl−, the aminopyrimidine molecule is protonated at one of the pyrimidine N atoms. The chloride anion interacts with the protonated pyrimidine N—H group and one of the amino N—H groups through two N—H...Cl hydrogen bonds ...
Ji Hye Lee, Dongsoo Koh
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2-Amino-4-methylpyridinium 4-methylbenzoate
IUCrData, 2016 In the title molecular salt, C6H9N2+·C8H7O2−, the cation is protonated at its pyridine N atom and the dihedral angle between the carboxylate group and its attached benzene ring in the anion is 8.54 (17)°.
P. Sivakumar +3 more
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Molecular Metals and Superconductors: BEDT-TTF Radical Salts [PDF]
, 1987 The first discovery of superconductivity in an organic metal - in the radical salts of TMTSF (tetramethyltetraselenafulvalene) - under pressure and ambient pressure has demonstrated that in addition to the usual intrastack contacts between the donor molecules in quasi one dimensional metals intermolecular contacts between molecules in neighbouring ...
Schweitzer, Dieter, Keller, Heimo J.
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Crystal structure of 2-phenylethanaminium 3-carboxyprop-2-enoate
Acta Crystallographica Section E: Crystallographic Communications, 2015 The title molecular salt, C8H12N+·C4H3O4−, crystallized with two independent cations and anions in the asymmetric unit. The ethanaminium side chains of the cations exhibit anti conformations [C—C—C—N torsion angles = 176.5 (3) and −179.4 (3)°].
N. Swarna Sowmya +4 more
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Crystal structure and Hirshfeld surface analysis of (C7H9N4O2)[ZnCl3(H2O)]
Acta Crystallographica Section E: Crystallographic Communications, 2020 In the title molecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium aquatrichloridozincate(II), (C7H9N4O2)[ZnCl3(H2O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 ...
Hicham El Hamdani +3 more
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2-Amino-4-methylpyridinium 2-hydroxybenzoate
IUCrData, 2016 The title molecular salt, C6H9N2+·C7H5O3−, contains two ion pairs in the asymmetric unit. Both anions feature an intramolecular O—H...O hydrogen bond, which closes an S(6) ring. In the crystal, N—H...O hydogen bonds link the components into [010] chains,
P. Sivakumar +2 more
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