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 Aqua(azido)[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamido-κ3N,N′,N′′]copper(II)

2013 ◽  
Vol 69 (11) ◽  
pp. m598-m599
Author(s):  
Sandra Bruda ◽  
Mark M. Turnbull ◽  
Jan L. Wikaira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Mean Deviation ◽  
Water Molecules ◽  
Air Oxidation ◽  
Apical Position ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Planar Array

The title compound, [Cu(C12H8N3O2)(N3)(H2O)], was formed by the air oxidation of 2-(aminomethyl)pyridine in 95% ethanol in the presence of copper(II) nitrate and sodium azide with condensation of the resulting picolinamide molecules to generate the imide moiety. The CuIIion has a square-pyramidal coordination sphere, the basal plane being occupied by four N atoms [two pyridine (py) N atoms, the imide N atom and an azide N atom] in a nearly planar array [mean deviation = 0.048 (6) Å] with the CuIIion displaced slightly from the plane [0.167 (5) Å] toward the fifth ligand. The apical position is occupied by a coordinating water molecule [Cu—O = 2.319 (4) Å]. The crystal structure is stabilized by hydrogen-bonding interactions between the water molecules and carbonyl O atoms. The inversion-related square-pyramidal complex molecules pack base-to-base with long Cu...Npycontact distances of 3.537 (9) Å, preventing coordination of a sixth ligand.

Redetermination of trans-diaquabis(picolinato-κ2 N,O)cobalt(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m796-m798 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Cüneyt Ersanlı ◽  
Cem Keser ◽  
Nazan Ocak Ískeleli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral

The crystal structure of the title compound, [Co(C6H4NO2)2(H2O)2]·2H2O, has been reinvestigated with improved precision [previous reports: Chang et al. (1972). J. Coord. Chem. 2, 31–34; Lumme et al. (1969). Suom. Kemistil. B, 42, 270]. In the title compound, the Co atom is located on an inversion center and its coordination can be described as slightly distorted octahedral, equatorially trans-coordinated by two N and O atoms of two picolinate ligands and axially coordinated by two O atoms of the water molecules. Intermolecular O—H...O and C—H...O hydrogen-bonding interactions result in the formation of an intricate three-dimensional network.

Triaqua[2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetato]nickel(II) 2.5-hydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m761-m763 ◽  
Author(s):  
Yan Jiao ◽  
Zhao-Rui Pan ◽  
Zhi-Jie Fang ◽  
Yi-Zhi Li ◽  
He-Gen Zheng
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Organic Ligand ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Acetate Ligand ◽  
Dimensional Network

In the crystal structure of the title compound, [Ni(C6H4N2O4S)(H2O)3]·2.5H2O, the NiII atom is six-coordinated by one 2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetate ligand and three water molecules. Hydrogen-bonding interactions between the coordinated and uncoordinated water molecules and between the water molecules and the organic ligand result in a three-dimensional network structure.

scholarly journals Crystal structure of magnesium copper(II) bis[orthophosphate(V)] monohydrate

2015 ◽  
Vol 71 (1) ◽  
pp. 55-57 ◽  
Author(s):  
Jamal Khmiyas ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystals ◽  
Water Molecules ◽  
Framework Structure ◽  
Hydrothermal Conditions ◽  
The Third ◽  
Hydrogen Bonding Interactions

Single crystals of magnesium copper(II) bis[orthophosphate(V)] monohydrate, Mg1.65Cu1.35(PO4)2·H2O, were grown under hydrothermal conditions. The crystal structure is formed by three types of cationic sites and by two unique (PO4)3−anions. One site is occupied by Cu2+, the second site by Mg2+and the third site by a mixture of the two cations with an Mg2+:Cu2+occupancy ratio of 0.657 (3):0.343 (3). The structure is built up from more or less distorted [MgO6] and [(Mg/Cu)O5(H2O)] octahedra, [CuO5] square-pyramids and regular PO4tetrahedra, leading to a framework structure. Within this framework, two types of layers parallel to (-101) can be distinguished. The first layer is formed by [Cu2O8] dimers linked to PO4tetrahedraviacommon edges. The second, more corrugated layer results from the linkage between [(Cu/Mg)2O8(H2O)2] dimers and [MgO6] octahedra by common edges. The PO4units link the two types of layers, leaving space for channels parallel [101], into which the H atoms of the water molecules protrude. The latter are involved in O—H...O hydrogen-bonding interactions (one bifurcated) with framework O atoms across the channels.

scholarly journals Tetraaqua[3-oxo-1,3-bis(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate

2020 ◽  
Vol 76 (2) ◽  
pp. 270-272
Author(s):  
Barry L. Westcott ◽  
Guy Crundwell ◽  
Nilda L. Alicea-Velázquez
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Enol Form ◽  
Water Molecules ◽  
Hydration Water ◽  
Hydrogen Bonding Interactions ◽  
Coordinated Water ◽  
Additional Hydrogen

The crystal structure of the title compound, [Ni(C13H11N2O2)(H2O)4]Br3·2H2O, contains an octahedral NiII atom coordinated to the enol form of 1,3-dipyridylpropane-1,3-dione (dppo) and four water molecules. Both pyridyl rings on the ligand are protonated, forming pyridinium rings and creating an overall ligand charge of +1. The protonated nitrogen-containing rings are involved in hydrogen-bonding interactions with neighoring bromide anions. There are many additional hydrogen-bonding interactions involving coordinated water molecules on the NiII atom, bromide anions and hydration water molecules.

scholarly journals YCu(TeO3)2(NO3)(H2O)3: a novel layered tellurite

2016 ◽  
Vol 72 (8) ◽  
pp. 1138-1142 ◽  
Author(s):  
Stuart J. Mills ◽  
Maja A. Dunstan ◽  
Andrew G. Christy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Spectroscopic Data ◽  
Structural Unit ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Nitrate Trihydrate ◽  
Branched Chains ◽  
Ir Spectroscopic ◽  
New Phase

A new hydrated yttrium copper tellurite nitrate, yttrium(III) copper(II) bis[trioxidotellurate(IV)] nitrate trihydrate, has been synthesized hydrothermally in a Teflon-lined autoclave and structurally determined using synchrotron radiation. The new phase is the first example containing yttrium, copper and tellurium in one structure. Its crystal structure is unique, with relatively strongly bound layers extending parallel to (020), defined by YO8, CuO4and TeO3polyhedra, while the NO3−anions and one third of the water molecules lie between those layers. The structural unit consists of [Cu2(TeO3)4]4−loop-branched chains of {Cu...Te...Cu...Te} squares running parallel to [001], which are linked further into layers only through Y(O,H2O)8polyhedra. Weak `secondary' Te bonds and O—H...O hydrogen-bonding interactions, involving water molecules and layer O atoms, link the layers and interlayer species. IR spectroscopic data are also presented.

scholarly journals Sr5(VIVOF5)3F(H2O)3refined from a non-merohedrally twinned crystal

2009 ◽  
Vol 65 (6) ◽  
pp. i46-i47 ◽  
Author(s):  
Armel Le Bail ◽  
Anne-Marie Mercier ◽  
Ina Dix
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Fluorite Structure ◽  
Structure Type ◽  
Water Molecules ◽  
Intensity Data ◽  
Hydrothermal Conditions ◽  
Hydrogen Bonding Interactions ◽  
Vanadyl Ion

The title compound, pentastrontium tris[pentafluoridooxidovanadate(IV)] fluoride trihydrate, was obtained under hydrothermal conditions. Its crystal structure has been refined from intensity data of a non-merohedrally twinned crystal. Two domains in almost equal proportions are related by a −180° rotation along the reciprocal [101]* vector. The structure may be considered as a derivative of the fluorite structure type, adopted here by SrF2. In the title compound, fluorite-like large rods are recognized, built up from a group of 16 Sr atoms of which 6 are substituted by V atoms, leading to [Sr10V6]∞units. These rods extend infinitely along thebaxis and are interconnected by the three water molecules. Each of the water molecules is shared by two different Sr atoms belonging to two different rods. The rods are also interconnected by an `independent' F atom in a distorted triangular [FSr3] coordination and by hydrogen-bonding interactionsviadonor water molecules. The acceptors are either F atoms or the O atoms of the vanadyl ion, VO2+, that is part of the [VOF5] isolated octahedron.

A three-dimensional coordination polymer based on the Zn4(μ3-OH)2unit: poly[[(μ4-benzene-1,4-dicarboxylato)bis(μ3-benzene-1,4-dicarboxylato)bis(μ3-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]

2015 ◽  
Vol 71 (2) ◽  
pp. 136-139
Author(s):  
Meng Wen ◽  
Zu-Ping Xiao ◽  
Chun-Ya Wang ◽  
Xi-He Huang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Dicarboxylic Acid ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Form Part

The title compound, {[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2]·2H2O}n, has been prepared hydrothermally by the reaction of Zn(NO3)2·6H2O with benzene-1,4-dicarboxylic acid (H2bdc) and 1,10-phenanthroline-5,6-dione (pdon) in H2O. In the crystal structure, a tetranuclear Zn4(OH)2fragment is located on a crystallographic inversion centre which relates two subunits, each containing a [ZnN2O4] octahedron and a [ZnO4] tetrahedron bridged by a μ3-OH group. The pdon ligand chelates to zinc through its two N atoms to form part of the [ZnN2O4] octahedron. The two crystallographically independent bdc2−ligands are fully deprotonated and adopt μ3-κO:κO′:κO′′ and μ4-κO:κO′:κO′′:κO′′′ coordination modes, bridging three or four ZnIIcations, respectively, from two Zn4(OH)2units. The Zn4(OH)2fragment connects six neighbouring tetranuclear units through four μ3-bdc2−and two μ4-bdc2−ligands, forming a three-dimensional framework with uninodal 6-connected α-Po topology, in which the tetranuclear Zn4(OH)2units are considered as 6-connected nodes and the bdc2−ligands act as linkers. The uncoordinated water molecules are located on opposite sides of the Zn4(OH)2unit and are connected to it through hydrogen-bonding interactions involving hydroxide and carboxylate groups. The structure is further stabilized by extensive π–π interactions between the pdon and μ4-bdc2−ligands.

scholarly journals Crystal structure of poly[[μ2-diaqua-diaqua-μ2-L-proline-κ2O:O′-strontium] dibromide]

2015 ◽  
Vol 71 (10) ◽  
pp. 1199-1202 ◽  
Author(s):  
Selladurai Sathiskumar ◽  
Thangavelu Balakrishnan ◽  
Kandasamy Ramamurthi ◽  
Subbiah Thamotharan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Direct Interaction ◽  
Water Molecules ◽  
Zwitterionic Form ◽  
Hydrogen Bonding Interactions

In the title coordination polymer, {[Sr(C5H9NO2)(H2O)4]Br2}n, the proline molecule exists in a zwitterionic form with one of the ring C atoms disordered over two sites [site-occupancy factors = 0.57 (6):0.43 (6)]. The SrIIion is nine-coordinated by six water O atoms, two monodentate and two μ2-bridging, and three carboxylate O atoms of the proline ligands, with two bridging [Sr—O range = 2.524 (4)–2.800 (5) Å]. In the crystal, there is no direct interaction between the proline molecules. However, the proline and water molecules associate with the bromide counter-anions through a number of intermolecular O—H...Br and N—H...Br hydrogen-bonding interactions, giving a three-dimensional supramolecular structure.

Triaqua(2,2′-bipyridine)maleatonickel(II) monohydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m865-m866 ◽  
Author(s):  
Mingtian Li ◽  
Xucheng Fu ◽  
Chenggang Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Complex ◽  
Octahedral Coordination ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking

In the title complex, [Ni(C4H2O4)(C10H8N2)2(H2O)3]·H2O, the Ni atom has a distorted NiO4N2 octahedral coordination, formed by one maleate dianion, one bipyridine and three water molecules. The crystal structure is stabilized by π–π stacking and hydrogen-bonding interactions.

Sign in / Sign up

Export Citation Format

Share Document