Results 31 to 40 of about 825,816 (298)
Acta Crystallographica Section E: Crystallographic Communications, 2020 Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions have been prepared and structurally characterized. In the isostructural 4-chlorobenzoate and 4-bromobenzoate salts, C11H17N2O+·C7H4ClO2− (I) and C11H17N2O+·C7H4BrO2− (II), and the
Chayanna Harish Chinthal +5 more
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Acta Crystallographica Section E, 2012 The title compound, 2C2H8N+·C30H12N2O122−·2H2O, comprises dimethylammonium cations, 3,3′-dicarboxy-5,5′-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-6,13-diyl ...
Lan-Ping Xu, Lan Qin, Lei Han
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Hydrogen-bonding interactions in the crystalline-phase structures of cinnamic acid derivatives [PDF]
, 1999 Secondary interactions responsible for the crystalline-phase structures of various cinnamic acids and cinnamic acid esters drawn from the Cambridge Structural Database were studied with the help of the Cerius package implemented on an SGI workstation ...
Pálinkó, István
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Ethyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate
Acta Crystallographica Section E, 2008 There are three formula units in the asymmetric unit of the title compound, C14H16N2O4·H2O. Molecules are linked by N—H...O hydrogen bonds into dimers with the common R22(8) graph-set motif.
T. N. Guru Row +4 more
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Isotopic fractionation in proteins as a measure of hydrogen bond length [PDF]
, 2015 If a deuterated molecule containing strong intramolecular hydrogen bonds is placed in a hydrogenated solvent it may preferentially exchange deuterium for hydrogen.
Athokpam, Bijyalaxmi +2 more
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Analysis of Hydrogen Bonds in Crystals
Crystals, 2016 The determination of crystal structures provides important information on the geometry of species constituting crystals and on the symmetry relations between them.
Sławomir J. Grabowski
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Acta Crystallographica Section E: Crystallographic Communications, 2020 In 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid, C8H14O4, the carboxyl group occupies an equatorial position on the 1,3-dioxane ring. In the crystal, O—H...O hydrogen bonds form chains of molecules, which are linked into a three-dimensional network by C—
Joseph A. Giesen +2 more
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A comparative molecular dynamics study of sulfuric and methanesulfonic acids [PDF]
, 2016 The molecular dynamics computer simulation method has been used to study sulfuric and methanesulfonic acids. Calculations have been carried out between 200 K and 400 K using reliable force fields.
Canales Gabriel, Manel +1 more
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Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate
IUCrData, 2017 The five-membered ring of the title compound, C19H18N2O4, adopts an envelope conformation. In the crystal, pairwise N—H...O hydrogen bonds form centrosymmetric dimers which are connected into chains parallel to the c-axis direction by pairwise C—H...O ...
Youssef Ramli +5 more
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