Search results for " interaction"
showing 10 items of 5187 documents
Crystal structure of 4-(4-chlorophenyl)-6-(morpholin-4-yl)pyridazin-3(2H)-one
2015
In the crystal, pairs of centrosymmetrically related molecules are linked into dimers via N—H⋯O hydrogen bonds, forming (8) ring motifs. The dimers are connected via C—H⋯O and C—H⋯Cl hydrogen bonds, forming a three-dimensional network·Semi-empirical molecular orbital calculations were carried out using the AM1 method.
Crystal structure of (E)-N-(3,4-dimethoxybenzylidene)morpholin-4-amine
2014
In the title compound, C13H18N2O3, the benzene ring makes a dihedral angle of 17.19 (11)° with the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation. In the crystal, C—H...N hydrogen bonds link the molecules into supramolecular chains running along a 21screw axis parallel to theb-axis direction. Weak C—H...π interactions are also observed.
Hexanuclear copper(ii) cage with {Cu3O⋯H⋯OCu3} core supported by a dicompartmental oxime ligand with m-xylyl spacer: synthesis, molecular structure a…
2010
A new dicompartmental dioxime ligand (H(2)L) with m-xylyl spacer between the donor sites has been synthesised by Schiff-base condensation of α,α'-diamino-m-xylene and diacetyl monooxime. The ligand reacts with copper(ii) salts giving rise to hexanuclear tricationic copper(II) cage complexes [Cu(II)(6)(μ(3)-O···H···O-μ(3))L(3)(H(2)O)(6)]X(3) (X = BF(4), 1a; X = ClO(4), 1b). The complexes have been characterised by different analytical and spectroscopic techniques and confirmed the hexanuclear structure even in solution. Single crystal X-ray diffraction studies of both the complexes revealed a very similar core structure with three dicompartmental ligands supporting two triangular Cu(3)O core…
Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E)-N′-(3-hydroxy-4-methoxybenzylidene)nicotinohydrazide monohydrate
2019
The title Schiff base compound displays an E configuration with respect to the C=N double bond. The pyridine and benzene rings subtend a dihedral angle of 29.63 (7)°. In the crystal, the molecules are linked by N—H⋯O, C—H⋯O, O—H⋯O and O—H⋯N hydrogen-bonding interactions.
Stabilisation of Exotic Tribromide (Br3−) Anions via Supramolecular Interaction with A Tosylated Macrocyclic Pyridinophane. A Serendipitous Case.
2020
Tetraaza-macrocyclic pyridinophane L-Ts, decorated with a p-toluenesulfonyl (tosyl
Crystal structure of bis[μ-1,4-bis(diphenylphosphanyl)butane-κ2P:P′]bis[(3,4,7,8-tetramethyl-1,10-phenanthroline-κ2N,N′)copper(I)] bis(hexafluoridoph…
2016
The dication of the title compound, [Cu2(C28H28P2)2(C16H16N2)2](PF6)2·2CH2Cl2, has crystallographically imposed inversion symmetry. The copper(I) cation is coordinated in a distorted tetrahedral geometry by two N atoms of a chelating 3,4,7,8-tetramethyl-1,10-phenanthroline ligand and two P atoms of two bridging 1,4-bis(diphenylphosphanyl)butane ligands, forming a 14-membered ring. An intramolecular π–π interaction stabilizes the conformation of the dication. In the crystal, dications are linked by π–π interactions involving adjacent phenanthroline rings, forming chains running parallel to [111]. Weak C—H...F hydrogen interactions are also observed.
Crystal structure of N′′-benzyl-N′′-[3-(benzyldimethylazaniumyl)propyl]-N,N,N′,N′-tetramethylguanidinium bis(tetraphenylborate)
2015
In the crystal structure of the title salt, C24H38N42+·2C24H20B−, the C—N bond lengths in the central CN3unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN3plane. The bonds between the N atoms and the terminal methyl groups of the guanidinium moiety and the four C—N bonds to the central N atom of the (benzyldimethylazaniumyl)propyl group have single-bond character. In the crystal, C—H...π interactions between the guanidinium H atoms and the phenyl C atoms of the tetraphenylborate ions …
Crystal structure of 2-hydroxyimino-2-(pyridin-2-yl)-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide
2014
The molecule of the title compound is approximately planar with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. In the crystal, molecules are linked by bifurcated O—H⋯(O,N) hydrogen bonds, forming inversion dimers, which are in turn linked via C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (502).
Crystal structure of chlorido(2-{[2-(4-chlorophenyl)hydrazin-1-ylidene-κN1](phenyl)methyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)iridium(III) te…
2015
The title compound, [Ir(η5-C5Me5)Cl(C18H14ClN3)]B(C6H5)4, is chiral at the metal center and crystallizes as a racemate. In the cation, the hydrazinylidenepyridine ligand isN,N-coordinated through theN-pyridyl andN-hydrazinylidene groups forming a five-membered metallacycle. An intramolecular C—H...Cl hydrogen bond is observed. In the crystal, centrosymmetrically-related cations are connected by C—Cl...π interactions, forming a dimeric structure. The crystal packing is further stabilized by weak interionic C—H...π interactions.
Intramolecular 1,5-S...N σ-hole interaction in (E)-N′-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide
2020
The hydrazide-hydrazone forms inverse dimers via hydrogen bonding, but its conformation is defined by the presence of an intramolecular chalcogen bond. Electrostatic forces dominate in the crystal packing and give rise to a layered supramolecular structure.