Search results for "π–π stacking"
showing 6 items of 6 documents
Crystal structure of the borabenzene–2,6-lutidine adduct
2015
In the title compound, C12H14BN, the complete molecule is generated by a crystallographic twofold axis, with two C atoms, the B atom and the N atom lying on the rotation axis. The dihedral angle between the borabenzene and pyridine rings is 81.20 (6)°. As well as dative electron donation from the N atom to the B atom [B—N = 1.5659 (18) Å], the methyl substituents on the lutidine ring shield the B atom, which further stabilizes the molecule. In the crystal, weak aromatic π–π stacking between the pyridine rings [centroid–centroid separation = 3.6268 (9) Å] is observed, which generates [001] columns of molecules.
catena-Poly[[diaquabis[1,4-bis(pyridin-4-yl)buta-1,3-diyne-κN]iron(II)]-μ-cyanido-κ2N:C-[dicyanido-κ2C-platinum(II)]-μ-cyanido-κ2C:N]
2017
The molecular structure of the title compound, [FePt(CN)4(C14H8N2)2(H2O)2]n, consists of one-dimensional polymeric [–Fe–NC–Pt(CN)2–CN–]∞chains. Two water molecules and two monodentate 1,4-bis(pyridin-4-yl)buta-1,3-diyne (bpb) ligand molecules complete the octahedral coordination sphere of the FeIIatoms. The Fe—N(py) bond length (py is pyridine) is 2.2700 (15) Å, Fe—N(cyanide) is 2.1185 (16) Å and the Fe—O distance is 2.1275 (14) Å. The water molecules are hydrogen bonded to either bpb ligands or cyanide groups of the planar [Pt(CN)4]2−anion of adjacent polymeric chains. These O—H...N hydrogen bonds, in conjunction with offset and tilted π–π stacking interactions between bpb ligands and cyan…
Crystal structure of 5-benzyl-8-bromo-2-methyl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one
2017
The structure of an oxazolonaphthyridinone derivative unexpectedly formed during the synthesis of pyridodiazepinediones is reported.
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 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).
2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate
2018
In the title compound, C11H10N2O3·2H2O, the constituent atoms of the dihydroquinoxaline moiety deviate from the mean plane of the unit by +0.0572 (8) to −0.0874 (8) Å while the acetic acid substituent is nearly orthogonal to this plane. The crystal packing consists of corrugated layers constructed by O—H...O, O—H...N and C—H...O hydrogen bonds, which also involve the lattice water molecules. O—H...O hydrogen bonds and π–π stacking interactions hold these layers together.