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The ability of Ex2Box4+ to interact with guests containing π-electron-rich and π-electron-poor moieties
(John Wiley and Sons Inc., 2018)
N-H...Br, Br...π and π...π interactions toward self-assembly of the cytosine hydrobromide: crystal structure, infrared spectroscopy and thermal behavior
(Elsevier BVAmsterdam, 2013-09)
The cytosine hydrobromide (CytHBr) was obtained and studied by single-crystal X-ray diffraction, FT-IR spectroscopy and thermal analysis. This salt crystallizes in the P'2IND.1/n space group with one ionic-pair CytH+Br in ...
Comparison of halogen bonding and van der Waals and π-π Inter-actions in 4,5-dibromo-2-hexyl-oxyphenol
(Wiley Blackwell Publishing, Inc, 2009-04)
The title compound, C12H16BrO2, is an inter-esting case of a simple organic mol-ecule making use of five different types of intra- and inter-molecular inter-actions (viz. conventional and nonconventional hydrogen bonds, ...
Structure of a dinuclear cadmium complex with 2,2'-bipyridine, monodentate nitrate and 3-carboxy-6-methylpyridine-2-carboxylate ligands: Intramolecular carbonyl(lone pair)···π(ring) and nitrate(π)···π(ring) interactions
(International Union of Crystallography, 2015-07)
The centro symmetric dinuclear complex bis(μ-3-carboxy-6-methylpyridine-2-carboxylato)-κ3N,O2:O2;κ3O2:N,O2-bis[(2,2'-bipyridine-κ2N,N')(nitrato-κO)-cadmium] methanol monosolvate, [Cd2(C8H6NO4)2(NO3)2(C10H8N2)2]·CH3OH, was ...
Supramolecular self-assembly of a coumarine-based acylthiourea synthon directed by π-stacking interactions: Crystal structure and Hirshfeld surface analysis
(Elsevier Science, 2016-05)
The structure of 1-(2-oxo-2H-chromene-3-carbonyl)-3-(2-methoxy-phenyl)thiourea (1) has been determined by single-crystal X-ray crystallography. This compound crystallizes in the monoclinic space group P21/c with a = 7.455 ...
A theoretical study of thionine: spin–orbit coupling and intersystem crossing
(2012-12-01)
A study of the possible intersystem crossing (ISC) mechanisms (S ⇝ T) in thionine (3,7-diamino-phenothiazin-5-ium), which is conducive to the efficient population of the triplet manifold, is presented. The radiationless ...
A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds
(Elsevier Science, 2014-01)
The novel 4′-[4-(pyrimidin-5-yl)phenyl]-4,4′:6′,2″-terpyridine (L1) ligand reacts with Zn(acac)2 (acac = acetylacetonato) to give the monomeric complex [Zn(acac)2(L1)2] (1) and the coordination polymer [Zn(acac)2(μ-L1)]n ...
Recurrent π-π stacking motifs in three new 4,5-dihydropyrazolyl-thiazole-coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations
(Royal Society of Chemistry, 2020-09)
The synthesis and X-ray characterization of three new 4,5-dihydropyrazolylthiazole-coumarin hybrids (1-3) are reported herein, namely 3-(2-(3,5-bis(4-chlorophenyl)-4,5-dihydropyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one ...
The three-component cocrystal 1,3,5-trifluoro-2,4,6-triiodobenzene-pyridine N-oxide-water (1/2/1) built up by halogen bonds, hydrogen bonds and π-π interactions
(International Union of Crystallography, 2015-02)
The title three-component cocrystal, C6F3I3·2C5H5NO·H2O, has been prepared as a strong candidate for multiple I⋯O interactions. Its crystal structure is compared with its 1:1 close relative, C6F3I3·C5H5NO [Aakeröy et al. ...