Salts of 4-[(benzylamino)carbonyl]-1-methylpyridinium and iodide anions with different cation:iodine stoichiometric ratios

The two iodide salts, 4-[(benzylamino)carbonyl]-1-methylpyridinium iodide–iodine (2/1), C14H15N2O+·I−·0.5I2, I, and 4-[(benzylamino)carbonyl]-1-methylpyridinium triiodide, C14H15N2O+·I3 −, II, with different cation:iodine atoms ratios were studied. Salt I contains one cation, one iodide anion and half of the neutral I2 molecule in the asymmetric unit (cation:iodine atoms ratio is 1:2). Salt II contains two cations, one triiodide anion (I 3 −) and two half triiodide anions (cation:iodine atoms ratio is 1:3). The NH group forms N—H...I hydrogen bonds with the I− anion in the crystal of I or N—H...O hydrogen bonds in II where only triiodide anions are present.

Bufotenidinium iodide

The title compound, 5-hydroxy-N,N,N-trimethyltryptammonium (5-HTQ) iodide {systematic name: [2-(5-hydroxy-1H-indol-3-yl)ethyl]trimethylazanium iodide}, C13H19N2O+·I−, has a single tryptammonium cation and one iodide anion in the asymmetric unit. The ions are held together by N—H...I and O—H...I hydrogen bonds in infinite chains along [100].

2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in Bufo alvarius toads

The solid-state structure of the bufotenine derivative bis(5-methoxy-2,N,N-trimethyltryptammonium) (5-MeO-2-Me-DMT) fumarate (systematic name: bis{[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]dimethylazanium} (2E)-but-2-enedioate), 2C14H21N2O+·C4H2O4 2−, the bufotenidine derivative 5-methoxy-2,N,N,N-tetramethyltryptammonium (5-MeO-2-Me-TMT) iodide {systematic name: [2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]trimethylazanium iodide}, C15H23N2O+·I−, and the hydrate of the same {systematic name: [2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]trimethylazanium iodide monohydrate}, C15H23N2O+·I−·H2O, are reported. The structure of 5-MeO-2-Me-DMT fumarate possesses one tryptammonium cation and a half of a fumarate dianion in the asymmetric unit, linked together by N—H...O hydrogen bonds in infinite two-dimensional networks parallel to the (101) plane. The structure of 5-MeO-2-Me-TMT iodide possesses one tryptammonium cation and one iodide anion in the asymmetric unit. The ions are linked via N—H...I hydrogen bonds, and indoles are coupled in dimers through π–π interactions. The hydrate of 5-MeO-2-Me-TMT iodide possesses one tryptammonium cation, one iodide anion and one water molecule in the asymmetric unit. It shows N—H...I and O—H...I hydrogen bonds that couple the tryptammonium cations into dimers.

Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer

Six novel co-crystals of tetrabromoquinone with iodide salts of organic cations displaying short contact between iodide anion and the quinoid ring have been structurally characterised. Sandwich-like groups I−∙∙∙quinone∙∙∙I− are present...

Bifunctional zinc and magnesium Schiff-base complexes containing quaternary ammonium side-arm for epoxide/CO2 coupling reaction

Novel bifunctional zinc and magnesium Schiff-base complexes containing quaternary ammonium halide side-arm were developed. The zinc complex 1Et-I (0.02 mol%) having iodide anion has shown the highest TOF for propylene...

Theoretical study of the reaction mechanism of triiodide ion (I3–) from iodine (I2) and iodide anion (I–)

This work studies the reaction mechanism of triiodide ion (I3–) from iodine (I2) and iodide anion (I–), furthermore it investigates the thermodynamic preference of formation of I3– in three different solvents. Through DFT calculations and using the continuous polarizable model (PCM) it was possible to determine the reaction mechanism, as well as to show that the formation of the triiodide ion, from iodine and iodide, is favored in solvents of less polarity.

Quaternary tryptammonium salts: N,N-dimethyl-N-n-propyltryptammonium (DMPT) iodide and N-allyl-N,N-dimethyltryptammonium (DMALT) iodide

The solid-state structures of two quaternary trytpammonium salts, namely, N,N-dimethyl-N-n-propyltryptammonium (DMPT) iodide [systematic name: 2-(1H-indol-3-yl)-N,N-dimethyl-N-propylazanium iodide], C15H23N2 +·I−, and N-allyl-N,N-dimethyltryptammonium (DMALT) iodide, [systematic name: 2-(1H-indol-3-yl)-N,N-dimethyl-N-(prop-2-en-1-yl)azanium iodide], C15H21N2 +·I−, are reported. Both salts possess a trialkyltryptammonium cation and an iodide anion in the asymmetric unit, which are joined together through N—H...I interactions. The DMALT structure was refined as an inversion twin, and the allyl group is disordered over two orientations with a 0.70 (4):0.30 (4) ratio.