Search results for "C—H⋯π inter­actions"

showing 4 items of 4 documents

Crystal structure of (E)-4-[N-(7-methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)carboximido-yl]phenol.

2015

The molecule of the title compound, C21H17N3O, is built up from fused five- and six-membered rings connected to a methyl group, a phenyl ring and an (iminomethyl)phenol group. The fused ring system is almost planar (r.m.s. deviation = 0.031 Å) and forms dihedral angles of 64.97 (7) and 18.52 (6)° with the phenyl ring and the (iminomethyl)phenol group, respectively. In the crystal, centrosymmetric molecules are linked by pairs of C—H...π interactions into dimeric units, which are further connected by O–H...N hydrogen bonds to form layers parallel to (101).

crystal structureCrystallographyHydrogen bondimidazo[12a]pyridine derivativeGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Bioinformaticshydrogen bondingC—H⋯π inter­actionsMedicinal chemistryData ReportsCrystalchemistry.chemical_compoundC—H...π interactionschemistryQD901-999Group (periodic table)PhenolGeneral Materials ScienceMethyl groupActa crystallographica. Section E, Crystallographic communications
researchProduct

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.

crystal structureHydrogen bondCyclohexane conformationSupramolecular chemistryGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)hydrogen bondingC—H⋯π inter­actionsData Reportslcsh:ChemistryCrystalCrystallographychemistry.chemical_compoundC—H...π interactionslcsh:QD1-999chemistryMorpholineGeneral Materials ScienceSchiff basesC - H?? interactionsmorpholin-4-amineActa Crystallographica Section E: Structure Reports Online
researchProduct

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 structureTetraphenylboratebiologyChemistryGeneral ChemistryCrystal structureCondensed Matter Physicsbiology.organism_classificationC—H⋯π inter­actionstetraphenylborateData ReportsIonCrystalBond lengthlcsh:ChemistryDelocalized electronCrystallographychemistry.chemical_compoundguanidinium saltC—H...π interactionslcsh:QD1-999tetra­phenyl­borateMoietyTetraGeneral Materials ScienceActa Crystallographica Section E: Crystallographic Communications
researchProduct

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.

crystal structurechemistry.chemical_elementNanotechnologyCrystal structureC—H⋯π inter­actionsintramolecular C—H...Cl hydrogen bondMedicinal chemistryhydrazinyl­idene­pyridine ligandpenta­methyl­cyclo­penta­dien­ylMetallcsh:Chemistrychemistry.chemical_compoundC—H...π interactionsPyridineGeneral Materials SciencepentamethylcyclopentadienylIridiumC—Cl...π interactionsbiologyLigandHydrogen bondintra­molecular C—H⋯Cl hydrogen bondiridium(III) complexGeneral ChemistryMetallacycleCondensed Matter Physicsbiology.organism_classificationData Reportshydrazinylidenepyridine ligandchemistrylcsh:QD1-999visual_artC—Cl⋯π inter­actionsvisual_art.visual_art_mediumTetraActa Crystallographica Section E: Crystallographic Communications
researchProduct