Search results for "AROMA"
showing 10 items of 1006 documents
Crystal structures of two platinum(II) complexes containing ethyl eugenoxyacetate and 2-amino-pyridine.
2017
The synthesis and crystal structures of two platinum(II) complexes containing one or two Cl atoms, an eugenol derivative and 2-aminopyridine as ligand are described. The central PtII atom displays a distorted square-planar coordination.
Bis{3,5-di-tert-butyl-N-[(4-dimethylamino)phenyl]salicylaldiminato}cobalt(II)
2017
In the title complex [systematic name: bis(2,4-di-tert-butyl-6-{N-[4-(dimethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)], [Co(C23H31N2O)2], the cobalt(II) atom is coordinated by pairs of O and N atoms in a distorted tetrahedral coordination geometry. The dihedral angles formed by the aromatic rings of the same ligand are 51.99 (11) and 36.58 (9)°. The molecular conformation features weak intramolecular C—H...O hydrogen bonds. In the crystal, inversion-related pairs of complex molecules are linked into dimers by weak C—H...π interactions. The methyl C atoms oftert-butyl groups have rotational disorder, with site occupancies of 0.647 (7) and 0.617 (6) for the major components and 0.353 …
Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol
2020
The crystal structure of 4-allyl-2-methoxy-6-nitrophenol, which crystallizes in the centrosymmetric space group P with three independent molecules in the asymmetric unit, is reported along with the Hirshfeld surface analysis.
4,4′-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate
2016
The title compound, C16H16N2O4·3H2O, was synthesized from (1R,2R)-1,2-bis(2-hydroxyphenyl)ethylenediamine and terephthalaldehydic acid. The compound crystallizes from water as a double zwitterion with protonated amine groups and deprotonated carboxylate groups. The dihedral angle formed by the aromatic rings is 3.86 (11)°. In the crystal, N—H...O and O—H...O hydrogen bonds link molecules into a three-dimensional network.
5,8,13,13-Tetrachloro-13H-dibenzo[a,i]fluorene cyclohexane hemisolvate
2019
In the crystal structure of the solvated pentacyclic title compound, C21H10Cl4·0.5C6H12, the pentacyclic chloroaromatic rings are arranged in parallel layers, with the chlorine atoms protruding from these planes. Channels orthogonal to these layers are filled with disordered cyclohexane molecules.
Host-guest complexes of C-propyl-2-bromoresorcinarene with aromatic N-oxides*
2018
The host-guest complexes of C-propyl-2-bromoresorcinarene with pyridine N-oxide, 3-methylpyridine N-oxide, quinoline N-oxide and isoquinoline N-oxide are studied using single crystal X-ray crystallography and 1H NMR spectroscopy. The C-propyl-2-bromoresorcinarene forms endo-complexes with the aromatic N-oxides in the solid-state when crystallised from either methanol or acetone. In solution, the endo-complexes were observed only in methanol-d4. In DMSO the solvent itself is a good guest, and crystallisation provides only solvate endo-complexes. The C-propyl-2-bromoresorcinarene shows remarkable flexibility when crystallised from either methanol or acetone, and packs into one-dimensional sel…
Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional…
2014
The crystal structure of 9H-carbazole, C12H9N, (I), has been redetermined at low temperature for use as a reference structure in a comparative study with the structures of 1-nitro-9H-carbazole, C12H8N2O2, (II), and 9-nitrocarbazole, C12H8N2O2, (III). The molecule of (I) has crystallographically imposed mirror symmetry (Z′ = 0.5). All three solid-state structures are slightly nonplanar, the dihedral angles between the planes of the arene and pyrrole rings ranging from 0.40 (7)° in (III) to 1.82 (18)° in (II). Nevertheless, a density functional theory (DFT) study predicts completely planar conformations for the isolated molecules. To estimate the influence of nitro-group substitution on aroma…
1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol
2018
The asymmetric unit of the title homopropargyl alcohol, C20H16OS, contains two independent molecules comprising a hydroxy group, a 3-(2-thiophenyl)- propargylic moiety and two aromatic rings linked to a central carbon atom. The two unique molecules are linked into a dimer by an O—HO hydrogen bond. In one molecule, the thiophene ring is disordered over two orientations rotated by 180 with a refined occupancy ratio of 0.575 (4):0.425 (4). The crystal structure is stabilized by O—H and C—H hydrogen-bond interactions. The crystal studied was a two-component non-merohedral twin, the refined ratio of the twin components being 0.575 (4):0.425 (4). UCR::Vicerrectoría de Docencia::Ciencias Básicas::…
The dynamics of aroma release during consumption of candies of different structures, and relationship with temporal perception
2011
; We investigated the role of both candy texture and eating technique (melting or chewing) on the dynamics of aroma release. One novelty of this type of analysis was the simultaneous application of instrumental and sensory analysis. Four candy textures were established based on their storage modulus at 1 Hz by varying the gelatine content between 0 and 15% w/w. The in vivo release of three aroma compounds was monitored using Proton Transfer Reaction Mass Spectrometry and with a trained panel of testers. The gelatine content had no significant effect on the headspace/product partition and diffusion properties of the aroma compounds. The highest in vivo release for all aroma compounds was ob…
Influence of Bond Fixation in Benzo-Annulated N-Salicylideneanilines and Their ortho-C(O)X Derivatives (X = CH3, NH2, OCH3) on Tautomeric Equilibria …
2007
1H, 13C, and 15N NMR spectra show that an ortho-C(=O)X group present in the molecules of N-salicylideneanthranilamide (X = NH2), methyl N-salicylideneanthranilate (X = OCH3), N-salicylidene-o-aminoacetophenone (X = CH3), and their benzo analogues have only a minor effect on the tautomeric OH/NH-equilibrium in solution. Only two of three possible tautomers were detected. Lability of the absent form was proved by theoretical calculations. Calculated energies show that the enolimino form (OH) is less stable than the enaminone (NH) form only for dibenzo-annulated N-salicylideneanilines. The population of each species in the tautomeric mixture was found to be inversely proportional to its energy…