Search results for "bonding"
showing 10 items of 996 documents
Crystal structure of 4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-1-methylpyridinium iodide
2015
The molecular geometry of the ionic title compound, C14H17N4+·I−or DAZOP+·I−, is essentially featureless. Regarding the crystal structure, in addition to the obvious cation–anion Coulombic interactions, the packing is mostly directed by non-covalent interactions involving both ring systems, as well as the iodide anion. It consists of cationic molecules aligned along [101] and disposed in an antiparallel fashion while linked into π-bonded dimeric entities by a stacking contact involving symmetry-related phenyl rings, with a centroid–centroid distance of 3.468 (3) Å and a slippage of 0.951 Å. The dimers are, in addition, sustained by a number of C—H...I and I...π (I...centroid = 3.876 Å) inte…
Crystal structure of bis-(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia-diazole-κ(2) N (2),N (3)]cobalt(II).
2015
The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN6 core shows an axially weakly compressed octahedral geometry as opposed to the almost regular geometry exhibited by the NiN6 octahedron.
Crystal structure of the diglycidyl ether of eugenol
2017
The diepoxy monomer (DGE-Eu) was synthesized from eugenol by a three-step reaction. It consists of a 1,2,4-trisubstituted benzene ring substituted by diglycidyl ether, a methoxy group and a methyloxirane group. The three-membered oxirane rings are inclined to the benzene ring by 61.0 (3) and 27.9 (3)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ab plane.
Crystal structure and Hirshfeld surface analysis of 1-(2,4-dichlorobenzyl)-5-methyl-N-(thiophene-2-sulfonyl)-1H-pyrazole-3-carboxamide
2018
In the title compound, C16H13Cl2N3O3S2, the thiophene ring is disordered in a 0.762 (3):0.238 (3) ratio by an approximate 180° rotation of the ring around the S—C bond linking the ring to the sulfonyl unit. The dichlorobenzene group is also disordered over two sets of sites with the same occupancy ratio. The molecular conformation is stabilized by intramolecular C—H...Cl and C—H...N hydrogen bonds, forming rings with graph-set notation S(5). In the crystal, pairs of molecules are linked by N—H...O and C—H...O hydrogen bonds, forming inversion dimers with graph-set notation R 2 2(8) and R 1 2(11), which are connected by C—H...O hydrogen-bonding interactions into ribbons parallel to (100). Th…
Crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate
2015
In the title hydrated salt, C19H24N3+·Br−·H2O, the values of the N—C bond lengths within the tetrahydropyrimidinium ring indicate delocalization of the N=C double bond. In the cation, the dihedral angle formed by the pyridine and benzene rings is 14.97 (12)°. In the crystal, ions and water molecules are linked by O—H...Br, O—H...N, C—H...Br and C—H...O hydrogen bonds into chains running parallel to thebaxis.
Crystal structures of organoplatinum complexes containing alkyleugenoxyacetate and p-chloroaniline
2016
In the title trans-dichloridoplatinum(II) complexes, the central PtII atom is further coordinated by the p-chloroaniline N atom and ethylenic double bond of alkyleugenoxyacetate.
Crystal structure of chlorido-{4,5-dimeth-oxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κC (1)}(piperidine-κN)platinum(II) ethanol monosolvate
2014
The title platinum(II) complex shows a trigonal–bipyramidal coordination and intermolecular C—H⋯Cl, C—H⋯π and (C/O)—H⋯O hydrogen bonds.
A Simple Complex on the Verge of Breakdown: Isolation of the Elusive Cyanoformate Ion
2014
Cyanide Hitches a Ride Cyanide is a by-product of the biosynthesis of ethylene in plants and it has been somewhat puzzling how the ion is safely removed before it can shut down enzymatic pathways by coordination to catalytic iron centers. A proposed mechanism has implicated the cyanoformate ion—essentially, a weak adduct of cyanide and carbon dioxide—as the initial product, although its lifetime was uncertain. Murphy et al. (p. 75 ; see the Perspective by Alabugin and Mohamed ) crystallized this previously elusive adduct and found that its solution-phase stability varies inversely with the dielectric properties of the medium. The results bolster a picture in which the adduct shuttles the cy…
N,N′-Bis(pyridin-2-yl)octanediamide
2016
The complete molecule of the title compound, C18H22N4O2, is generated by crystallographic inversion symmetry. In the crystal, N—H...N hydrogen bonds connect the molecules into [010] chains, which featureR22(8) loops. The packing is consolidated by C—H...O interactions.
Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene
2019
The dihedral angle between the 4-fluorophenyl ring and the nitro-substituted benzene ring of the title compound is 63.29 (8)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds into chains parallel to the c axis. The crystal packing is further stabilized by C—Cl⋯π, C—F⋯π and N—O⋯π interactions