Search results for "Crystal"
showing 10 items of 22886 documents
Crystal structures of isomeric 3,5-dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-d…
2017
The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-dichloro-N-(2,3-dimethylphenyl)-benzenesulfonamide (I), 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide (II) and 3,5-dichloro-N-(3,5-dimethylphenyl)benzenesulfonamide (III) are described. The molecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The molecular conformation of (II) is stabilized by intramolecular C—H...O hydrogen bonds and C—H...π interactions. The crystal structure of (I) features N—H...O hydrogen-bonded R 2 2(8) loops interconnected via C(7) chains of C—H...O interactions, forming a thre…
(E)-1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
2017
The molecule of the title compound C19H18O6, adopts anEconformation about the C=C double bond and the C—C=C—C torsion angle is −179.30 (16)°. The molecule is nearly planar, as indicated by the dihedral angle of 6.99 (6)° between the benzene ring and the benzodioxalane ring. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming zigzag chains propagating along thebaxis.
Phase selective synthesis of ZnS nanoparticles from structurally new dithiocarbamate precursor
2015
Abstract A phase selective solvothermal synthesis of ZnS (wurzite) nanoparticles with a flower-like morphology using a dithiocarbamate precursor, [Zn(4-dpmpzdtc)2(dpmpz)] (1) (where, dpmpz=(diphenylmethyl)piperazine), is described. The nanoparticles were identified as ZnS (wurzite) with the particle size of about 3 to 10 nm by scanning and transmission electron microscopy as well as powder X-ray diffraction (XRD). In addition, the precursor complex 1 was characterized using single crystal X-ray diffraction.
Crystal structure of 2-methyl-1H-imidazol-3-ium aquatrichlorido(oxalato-κ2O,O′)stannate(IV)
2015
N—H⋯O, N—H⋯Cl and O—H⋯O hydrogen bonds between cations and anions in the complex salt (C4H7N2)+[Sn(H2O)Cl3(C2O4)]− are responsible for the formation of a three-dimensional network structure.
Crystal structure of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium trifluoromethanesulfonate
2015
In the cation of the title salt, C9H20NO+·CF3O3S−, the six-membered heterocyclic ring displays a chair conformation. In the crystal, centrosymmetric pairs of cations and anions are linked by N—H...O and O—H...O hydrogen bonds to form rings with aR44(14) graph-set motif.
rac-1,1,1,6,6,6-Hexachlorohex-3-yne-2,5-diol hemihydrate
2017
The asymmetric unit of the title compound, C6H4Cl6O2·0.5H2O, contains one molecule of 1,1,1,6,6,6-hexachlorohex-3-yne-2,5-diol and half a water molecule located on a twofold rotation axis. In the crystal, pairs of hexachlorohexynediol molecules form centrosymmetric dimers connectedviapairwise O—H...O hydrogen bonds. These dimers are connected by water molecules, resulting in layers parallel to theabplane.
Crystal structure of an epoxysterol: 9α,11α-epoxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-diacetate
2017
The title compound is a polyoxygenated epoxy steroid that crystallizes in the P212121 space group.
Binding abilities of new cyclodextrin-cucurbituril supramolecular hosts
2015
Various combined techniques (UV–vis spectrophotometry, isothermal titration calorimetry, thermogravimetry, ESI-MS mass spectrometry, polarimetry and 1H NMR spectroscopy) were used in order to study the interaction between a new combined supramolecular host, namely a bow-tie-structured cyclodextrin–cucurbituril association solely held by non-covalent interactions, and a suitably selected guest, namely the N-(p-nitrophenyl)-1,8-diaminooctane hydrochloride. In particular, the use of different techniques highlighted the peculiar features of the possible host–guest supramolecular interactions under different concentration conditions.
Deuteron Magnetic Resonance Study of Order and Dynamics in Liquid Crystal Polymers
1984
Abstract Thermotropic nematic polyesters, specifically deuterated at different positions of the polymer chain are studied by multiple pulse dynamic NMR. Analysis of the NMR experiments is achieved, employing a comprehensive model, based on the stochastic Liouville equation. Computer simulations provide the orientational distributions and conformations of the polymer chains and the correlation times of the various motions. In the anisotropic melt the correlation times for chain reorientation and trans-gauche-isomerization are in the range of 0.1–10 ns. Decreasing the temperature of the solid polymer first freezes the intermolecular motions. Thus, below the glass transition only intramolecula…
Theoretical and Spectroscopic Studies On Imino-carbon Palladated Pyridine-2-carbaldimines
1987
Abstract Ab initio LCAO-MO-SCF calculations on the model compounds C 5 H 4 N-2-C(R 1 )=NH [R 1 = H ( 2c ) and R 1 = trans -PdCl(PH 3 ) 2 ( 4c )] indicate that the E - trans conformation is favored over the E - cis one by 16.9 kJ mol −1 for 2c and by 25.0 kJ mol −1 for 4c . One of the factors which stabilizes the E-trans arrangement for 4c is a weak bonding interaction between the palladium center and the pyridine nitrogen. On going from 2c to 4c a slight charge enrichment on the pyridine carbons and a more pronounced one on the nitrogen atoms is computed, whereas the charge density of the imino carbon atom is decreased. In 4c no π contribution to the PdC bond is observed. Protonation of th…