scholarly journals Crystal structures of three complexes of zinc chloride with tri-tert-butylphosphane

2016 ◽  
Vol 72 (1) ◽  
pp. 35-39 ◽  
Author(s):  
Aaron D. Finke ◽  
Danielle L. Gray ◽  
Jeffrey S. Moore
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Zinc Chloride ◽  
Chloride Complex ◽  
Lewis Base ◽  
Ambient Conditions ◽  
Hydrogen Bonding Interactions ◽  
Complex Forms ◽  
Cl Atoms

Under anhydrous conditions and in the absence of a Lewis-base solvent, a zinc chloride complex with tri-tert-butylphosphane as the μ-bridged dimer is formed,viz.di-μ-chlorido-bis[chloridobis(tri-tert-butylphosphane)zinc], [ZnCl4(C12H27P)2], (1), which features a nearly square-shaped (ZnCl)2cyclic core and whose Cl atoms interact weakly with C—H groups on the phosphane ligand. In the presence of THF, monomeric dichlorido(tetrahydrofuran-κO)(tri-tert-butylphosphane-κP)zinc, [ZnCl2(C4H8O)(C12H27P)] or [P(tBu3)(THF)ZnCl2], (2), is formed. This slightly distorted tetrahedral Zn complex has weak C—H...Cl interactions between the Cl atoms and phosphane and THF C—H groups. Under ambient conditions, the hydrolysed complex tri-tert-butylphosphonium aquatrichloridozincate 1,2-dichloroethane monosolvate, (C12H28P)[ZnCl3(H2O)]·C2H4Cl2or [HPtBu3]+[(H2O)ZnCl3]−·C2H4Cl2, (3), is formed. This complex forms chains of [(H2O)ZnCl3]−anions from hydrogen-bonding interactions between the water H atoms and Cl atoms that propagate along thebaxis.

scholarly journals A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils

2017 ◽  
Vol 19 (5) ◽  
pp. 4030-4040 ◽  
Author(s):  
Luca Grisanti ◽  
Dorothea Pinotsi ◽  
Ralph Gebauer ◽  
Gabriele S. Kaminski Schierle ◽  
Ali A. Hassanali
Keyword(s):  
Optical Properties ◽  
Hydrogen Bonding ◽  
Proton Transfer ◽  
Crystal Structures ◽  
Amyloid Fibrils ◽  
Computational Study ◽  
Model Systems ◽  
Hydrogen Bonding Interactions ◽  
Model Crystal ◽  
Different Types

Different types of hydrogen bonding interactions that occur in amyloids model systems and molecular factors that control the susceptibility of the protons to undergo proton transfer and how this couples to the optical properties.

scholarly journals Crystal structures ofN′-aminopyridine-2-carboximidamide andN′-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide

2017 ◽  
Vol 73 (7) ◽  
pp. 1021-1025
Author(s):  
Francois Eya'ane Meva ◽  
Timothy John Prior ◽  
David John Evans ◽  
Emmanuel Roland Mang
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Dimensional Chain ◽  
Two Dimensional ◽  
One Dimensional ◽  
Bond Lengths ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bonding Network

The crystal structures ofN′-aminopyridine-2-carboximidamide (C6H8N4),1, andN′-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide (C13H13N5),2, are described. The non-H atoms in compound1are nearly planar (r.m.s. deviation from planarity = 0.0108 Å), while2is twisted about the central N—N bond by 17.8 (2)°. Both molecules are linked by intermolecular N—H...N hydrogen-bonding interactions;1forms a two-dimensional hydrogen-bonding network and for2the network is a one-dimensional chain. The bond lengths of these molecules are similar to those in other literature reports of azine and diimine systems.

scholarly journals Crystal Structures of Four Novel Thiophene/Phenyl-piperidine Hybrid Chalcones

2014 ◽  
Vol 70 (a1) ◽  
pp. C1020-C1020
Author(s):  
Masood Parvez ◽  
Muhammad Bakhtiar ◽  
Muhammad Baqir ◽  
Muhammad Zia-ur-Rehman
Keyword(s):  
Hydrogen Bonding ◽  
Pharmaceutical Industry ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Benzene Ring ◽  
Drug Targets ◽  
Important Class ◽  
Hydrogen Bonding Interactions ◽  
Benzene Rings ◽  
Type C

Chalcones constitute an important class of bioactive drug targets in the pharmaceutical industry that includes anti-ulcerative drug sofalcone. In continuation of our work, the crystal structures of four closely related 1-phenyl-piperidine based chalcones will be presented. I: C19 H21NOS, MW = 311.43, T = 173(2) K, λ = 0.71073 Å, Orthorhombic, P b c a, a = 10.1045(4), b = 10.5358(4), c = 30.6337(12) Å, V = 3261.2(2) Å3, Z = 8, Dc = 1.269 Mg/m3, F (000) = 1328, R [I>2σ(I)] = 0.059. II: C18H19NOS, MW = 297.40, T = 173(2) K, λ = 1.54178 Å, Orthorhombic, P b c a, a = 8.9236(2), b = 11.0227(2), c = 30.8168(6) Å, V = 3031.21(11) Å3 Z = 8, Dc = 1.303 Mg/m3, F (000) = 1264, R [I>2σ(I)] = 0.035. III: C18H19NOS, MW = 297.40, T = 173(2) K, λ = 1.54178 Å, Orthorhombic, P b c a, a = 8.82990(10), b = 11.0061(2), c = 31.2106(5) Å, V = 3033.13(8) Å3, Z = 8, Dc = 1.303 Mg/m3, F (000) = 1264, R [I>2σ(I)] = 0.048. IV: C18H18ClNOS, MW = 331.84, T = 173(2) K, λ = 0.71073 Å, Monoclinic, P 21/c, a = 14.1037(4), b = 11.3153(3), c = 10.1290(2) Å, β = 101.1367(14)0, V = 1586.02(7) Å3, Z = 4, Dc = 1.390 Mg/m3, F (000) = 696, R [I>2σ(I)] = 0.038. The crystals of I, II and III are isomorphous. In all structures, the piperidine rings are in chair conformations, thiophene rings are essentially planar and the C=C bonds in the prop-2-en-1-one fragment adopt E-conformation. All crystal structures are devoid of any classical hydrogen bonds. However, non-classical hydrogen bonding interactions of the type C---H...O in compounds II, III and IV link the molecules into chains extended along the b-axis. Moreover, C---H...Cg interactions involving thiophene rings in I and III and benzene ring in IV and π...π interactions between benzene rings lying about inversion centers are present in II and III.

scholarly journals Crystal structure of a new hybrid antimony–halide-based compound for possible non-linear optical applications

2015 ◽  
Vol 71 (5) ◽  
pp. 498-501 ◽  
Author(s):  
Tarek Ben Rhaiem ◽  
Habib Boughzala
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecules ◽  
Inorganic Layer ◽  
Organic Part ◽  
Organic Layers ◽  
Hydrogen Bonding Interactions ◽  
Optical Applications ◽  
Cl Atoms ◽  
Inorganic Layers

The hybrid title compound,catena-poly[[[bis(1,4-diazoniabicyclo[2.2.2]octane) [tetraachloridoantimonate(III)]-μ-chlorido-[tetrachloridoantimonate(III)]-μ-chlorido]] monohydrate], {(C6H14N2)2[Sb2Cl10]·H2O}n, is self-assembled into alternating organic and inorganic layers parallel to thebcplane. The anionic inorganic layer consists of infinite zigzag chains of corner-sharing [SbCl6]3−octahedra running along thebaxis. The organic part is made up of 1,4-diazoniabicyclo[2.2.2]octane dications (dabcoH22+). The water molecules in the structure connect inorganic and organic layers. Hydrogen-bonding interactions between the ammonium groups, water molecules and Cl atoms ensure the structure cohesion.

scholarly journals 3,5-Dinitrosalicylic Acid in Molecular Assembly. III. Proton-Transfer Compounds of 3,5-Dinitrosalicylic Acid with Polycyclic Aromatic and Heteroaromatic Amines, and Overall Series Structural Systematics

2007 ◽  
Vol 60 (4) ◽  
pp. 264 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth ◽  
Peter C. Healy ◽  
Jonathan M. White
Keyword(s):  
Hydrogen Bonding ◽  
Proton Transfer ◽  
Crystal Structures ◽  
Molecular Assembly ◽  
Lewis Base ◽  
Amino Group ◽  
Π Interactions ◽  
Hydrogen Donors ◽  
Polycyclic Aromatic ◽  
Proton Transfer Compounds

The crystal structures of the 1:1 proton-transfer compounds of 3,5-dinitrosalicylic acid (dnsa) with a series of common polycyclic aromatic and heteroaromatic amines (quinoline, 1-naphthylamine, 1,2,3,4-tetrahydroquinoline, quinaldic acid, benzimidazole, 1,10-phenanthroline, and 2,2′-bipyridine) have been determined and the hydrogen-bonding associations in each analyzed. The compounds are [(C9H8N)+(dnsa)–] 1, [(C10H10N)+(dnsa)–] 2, [(C9H12N)+(dnsa)–] 3, [(C10H8NO2)+(dnsa)–] 4, [(C7H7N2)+(dnsa)–] 5, [(C12H9N2)+(dnsa)–] 6, and [(C10H9N2)+(dnsa)–] 7. In all compounds, protonation of either the substituent amino group or the hetero-N of the Lewis base occurs, with subsequent hydrogen bonding via this and other hydrogen donors variously to the carboxylate, phenate, and nitro oxygen acceptors of the dnsa anions. The result is the formation of primary N+–H···O associations which with secondary peripheral interactions, which within this set of compounds includes an increased incidence of aromatic C–H···O associations, give framework polymer structures. In three of the compounds [1, 4, and 6], cation–anion π–π interactions are also found. The completion of this series of compounds has now allowed the categorization of the molecular assembly modes in the proton-transfer compounds of 3,5-dinitrosalicylic acid.

[Bis(2-pyridylmethyl)amine]dichloridozinc(II) chloroform solvate

2007 ◽  
Vol 63 (11) ◽  
pp. m2810-m2811 ◽  
Author(s):  
Young-Inn Kim ◽  
You-Soon Lee ◽  
Hoe-Joo Seo ◽  
Jin-Young Lee ◽  
Sung Kwon Kang
Keyword(s):  
Hydrogen Bonding ◽  
Title Complex ◽  
Pyramidal Geometry ◽  
Hydrogen Bonding Interactions ◽  
Square Pyramidal Geometry ◽  
Cl Atoms ◽  
Centrosymmetric Dimers

The Zn atom in the title complex, [ZnCl2(C12H13N3)]·CHCl3, adopts a distorted square-pyramidal geometry, being coordinated by three N atoms of the tridentate dipicolylamine ligand and two Cl atoms. Intermolecular N—H...Cl hydrogen-bonding interactions link the molecules into centrosymmetric dimers.

The double-stranded ladder-like structure of poly[[bis(μ2-acetato-κ2O:O′)bis(acetato-κO)bis(μ-4,4′-bipyridine-κ2N:N′)dicopper(II)] 4-nitrophenol disolvate tetrahydrate]

2013 ◽  
Vol 69 (10) ◽  
pp. 1100-1103
Author(s):  
Sizwe J. Zamisa ◽  
Patrick Ndungu ◽  
Bernard Omondi
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Title Compound ◽  
Basal Plane ◽  
Copper Acetate ◽  
Water Solvent ◽  
Hydrogen Bonding Interactions ◽  
Complex Forms ◽  
Solvent Molecules ◽  
Unit Cell Length

The reaction of 4,4′-bipyridine with copper acetate in the presence of 4-nitrophenol led to the formation of the title compound, {[Cu(CH3COO)2(C10H8N2)]·C6H5NO3·2H2O}n. The complex forms a double-stranded ladder-like coordination polymer extending along thebaxis. The double-stranded polymers are separated by 4-nitrophenol and water solvent molecules. The two CuIIcentres of the centrosymmetric Cu2O2ladder rungs have square-pyramidal coordination environments, which are formed by two acetate O atoms and two 4,4′-bipyridine N atoms in the basal plane and another acetate O atom at the apex. The ladder-like double strands are separated from each other by one unit-cell length along thecaxis, and are connected by the water and 4-nitrophenol molecules through a series of O—H...O and C—H...O hydrogen-bonding interactions and two unique intermolecular π–π interactions.

scholarly journals Crystal structures of chlorido[dihydroxybis(1-iminoethoxy)]arsanido-κ3 N,As,N′]platinum(II) and of a polymorph of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II)

2020 ◽  
Vol 76 (2) ◽  
pp. 180-185
Author(s):  
Nina R. Marogoa ◽  
D.V. Kama ◽  
Hendrik G. Visser ◽  
M. Schutte-Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Donor Ligands ◽  
Intermolecular Hydrogen Bonding ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Oxygen Donor ◽  
Dimensional Network

Each central platinum(II) atom in the crystal structures of chlorido[dihydroxybis(1-iminoethoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitrogen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal–bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90 (13) and 106.98 (14)° for platinum and arsenic in (1), and 173.20 (14)° and 94.20 (9)° for (2), respectively. One intramolecular and four classical intermolecular hydrogen-bonding interactions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. A similar situation (one intramolecular and four classical intermolecular hydrogen-bonding interactions) is observed in the crystal structure of (2). Various π-interactions are present in (1) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.7225 (7) Å, and between the centroids of five-membered (Pt, As, C, N, O) rings of neighbouring molecules with distances of 3.7456 (4) and 3.7960 (6) Å. Likewise, weak π-interactions are observed in (2) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.8213 (2) Å, as well as between the Cl atom and the centroid of a symmetry-related five-membered ring with a distance of 3.8252 (12) Å. Differences between (2) and the reported polymorph [Miodragović et al. (2013). Angew. Chem. Int. Ed. 52, 10749–10752] are discussed.

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