6533b859fe1ef96bd12b836d

RESEARCH PRODUCT

2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion

Elina KaleniusRakesh PuttreddyKari RissanenRobin H. A. RasNgong Kodiah Beyeh

subject

tetra-anionsta114biology010405 organic chemistryChemistryMetals and AlloysX-rayCapsuleGeneral ChemistryCrystal structureX-ray crystal structure010402 general chemistrybiology.organism_classification01 natural sciencesCatalysismono-anions0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographyMaterials ChemistryCeramics and CompositesTetrata116

description

Mono- and tetra-deprotonated 2-methylresorcinarene anions (1 and 2) as their trans-1,4-diammoniumcyclohexane (TDAC)2+ inclusion complexes are reported. The mono-anion forms a fully closed dimeric capsule [1·H2O·MeOH]22− with a cavity volume of 165 Å3 and (TDAC)2+ as the guest with an extremely high packing coefficient, PC = 84.2%, while the tetra-anion forms a close-packed structure with two structurally isomeric tetra-anions 2a and 2b with a 50 : 50 ratio in the crystal lattice. peerReviewed

10.1039/c6cc03289chttps://aaltodoc.aalto.fi/handle/123456789/24915