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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, ...
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 ...
Acid- and hydrogen-bonding-induced switching between 22-π and 18-π electron conjugations in 2-aminothiazolo[4,5-c] porphycenes
(Royal Society of Chemistry, 2017)
© 2017 the Owner Societies. 2-Aminothiazolo[4,5-c]porphycenes are a novel class of 22-π electron aromatic porphycene derivatives prepared by click reaction of porphycene isothiocyanates with primary and secondary amines ...
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 ...
Aplicação do mapeamento vetorial para biomoléculas
(Universidade Federal de São CarlosUFSCarPrograma de Pós-Graduação em Biotecnologia - PPGBiotecCâmpus São Carlos, 2017-10-09)
The main focus of this work was to study two types of non-covalent interactions: π interactions and hydrogen bonds. This type of study is necessary when one wants to analyze, for example, enzyme-ligand or DNA-ligand ...
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. ...
π-Donor/acceptor effect on Lindqvist type polyoxomolibdates because of various multiple-bonded nitrogenous ligands
(2007-07-19)
The electronic structures of Lindqvist type functionalized polyoxometalates (POM) ([Mo6O18R]n-- R = O, NO, NAr, NNAr, NNAr2; n = 2, 3) have been investigated using density functional methods. We discuss the role of the ...