scholarly journals Synthesis and crystal structures of [Al(H2O)6](SO4)NO3·2H2O and [Al(H2O)6](SO4)Cl·H2O

2021 ◽  
Vol 77 (1) ◽  
pp. 58-61
Author(s):  
Fredric G. Svensson
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Single Crystals ◽  
Crystal Structures ◽  
Positive Charge ◽  
Water Molecules ◽  
Double Salts ◽  
Charge Balancing ◽  
Chloride Hydrate

Two novel aluminium double salts, [Al(H2O)6](SO4)NO3·2H2O, hexaquaaluminium sulfate nitrate dihydrate, (1), and [Al(H2O)6](SO4)Cl·H2O, hexaquaaluminium sulfate chloride hydrate, (2), were obtained in the form of single crystals. Their crystal structures are each based on an octahedral [Al(H2O)6]3+ unit and both structures have in common one charge-balancing SO4 2− anion. The final positive charge from the aluminium(III) cation is balanced by an NO3 − or a Cl− anion for (1) and (2), respectively. Compound (1) further contains two unligated water molecules while compound (2) only contains one unligated water molecule. In the crystal structures, all components are spatially separated and interactions are mediated via medium–strong hydrogen bonding, compared to many other reported aluminium sulfates where corner-sharing of the building units is common. The two compounds represent rare cases where one aluminium(III) cation is charge-balanced by two different anions.

scholarly journals Crystal structures of tetrakis(pyridine-4-thioamide-κN)bis(thiocyanato-κN)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κN)bis(thiocyanato-κN)zinc(II)

2018 ◽  
Vol 74 (2) ◽  
pp. 141-146 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Crystal Structures ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Host Structure

Reaction of Co(NCS)2 and Zn(NCS)2 with 4-pyridinethioamide led to the formation of compounds with composition [Co(NCS)2(C6H6N2S)4]·H2O (1) and [Zn(NCS)2(C6H6N2S)2] (2), respectively. The asymmetric unit of compound 1, consists of one cobalt(II) cation, two thiocyanate anions, four 4-pyridinethioamide ligands and one water molecule whereas that of compound 2 comprises one zinc(II) cation that is located on a twofold rotation axis as well as one thiocyanate anion and one 4-pyridinethioamide ligand in general positions. In the structure of compound 1, the cobalt(II) cations are octahedrally coordinated by two terminal N-bonding thiocyanate anions and by the N atoms of four 4-pyridinethioamide ligands, resulting in discrete and slightly distorted octahedral complexes. These complexes are linked into a three-dimensional network via intermolecular N—H...S hydrogen bonding between the amino H atoms and the thiocyanate S atoms. From this arrangement, channels are formed in which the water molecules are embedded and linked to the host structure by intermolecular O—H...S and N—H...O hydrogen bonding. In the structure of compound 2, the zinc(II) cations are tetrahedrally coordinated by two N-bonding thiocyanate anions and the N atoms of two 4-pyridinethioamide ligands into discrete complexes. These complexes are likewise connected into a three-dimensional network by intermolecular N—H...S hydrogen bonding between the amino H atoms and the thioamide S atoms.

Crystal structures of nickel(II) and copper(Il)-Schiff-bases complexes with tetramic and tetronic acid subunits

1994 ◽  
Vol 209 (12) ◽  
Author(s):  
G. Reck ◽  
B. Schulz ◽  
A. Zschunke ◽  
O. Tietze ◽  
J. Haferkorn
Keyword(s):  
Complex Formation ◽  
Water Molecule ◽  
Crystal Structures ◽  
Schiff Bases ◽  
Water Molecules ◽  
Ligand Molecule ◽  
Tetragonal Pyramid ◽  
Space Group ◽  
Tetronic Acid ◽  
Oxygen Ligand

AbstractN,N′-ethylene-bis-(tetronic-acid-3-formiminato)-copper(II)/K1 crystallizes in space groupN,N′-ethylene-bis-(tetronic-acid-3-formiminato)-nikkel(II)/K2 crystallizes in space groupN,N′-ethylene-bis-(1,5,5-trimethyltetramic-acid-3-formiminato)-copper(II)/K3 crystallizes in space groupIn K1 and K3 copper is coordinated by two nitrogen and two oxygen atoms of the ligand molecule as well as by one water molecule on top of a tetragonal pyramid. In K2 two water molecules are included in the complex formation. These and two nitrogen as well as two oxygen ligand atoms form a nearly regular octahedron.

scholarly journals Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate

2018 ◽  
Vol 74 (9) ◽  
pp. 1295-1298
Author(s):  
Jan Fábry
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Secondary Amine ◽  
Symmetry Plane ◽  
Structural Features ◽  
Water Molecules ◽  
Amine Groups

Two of the constituent molecules in the title structure, 2C6H7N2O+·HPO3 2−·H2O, i.e. the phosphite anion and the water molecule, are situated on a symmetry plane. The molecules are held together by moderate N—H...O and O—H...N, and weak O—H...O and C—H...Ocarbonyl hydrogen bonds in which the amide and secondary amine groups, and the water molecules are involved. The structural features are usual, among them the H atom bonded to the P atom avoids hydrogen bonding.

Komplexe mit substituierten 2,5-Dihydroxy-p-benzochinonen: EA[C6(NO2)2O4] · H2O (EA = Ca, Sr)/ Complexes with Substituted 2,5-D ihydroxy-p-benzoquinones: EA [C6(NO2)2O4] · 4H2O(EA = Ca, Sr)

1987 ◽  
Vol 42 (8) ◽  
pp. 972-976 ◽  
Author(s):  
Christian Robl
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Single Crystals ◽  
Coordination Sphere ◽  
Trigonal Prism ◽  
Water Molecules ◽  
Additional Water ◽  
Oxygen Atoms

AbstractSingle crystals of EA[Q(NO2)2O4] · 4H2O (EA = Ca. Sr) were grown in aqueous silicagel. Ca2+ has CN 8. It is surrounded by 4 oxygen atoms of two bis-chelating [C6(NO2)2O4]2- ions and 4 water molecules, which form a distorted, bi-capped trigonal prism. Sr2+ is coordinated similarly, with an additional water molecule joining the coordination sphere to yield CN 8+1. Corrugated chains extending along [010] and consisting of EA2+ and nitranilate ions are the main feature of the crystal structure. Adjacent chains are interlinked by hydrogen bonds.

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.

Salts of aromatic carboxylates: the crystal structures of nickel(II) and cobalt(II) 2,6-naphthalenedicarboxylate tetrahydrate

2001 ◽  
Vol 34 (6) ◽  
pp. 710-714 ◽  
Author(s):  
James A. Kaduk ◽  
Jason A. Hanko
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Crystal Packing ◽  
Geometry Optimization ◽  
Metal Cations ◽  
Carboxyl Groups ◽  
Water Molecules ◽  
Triclinic Space Group ◽  
Aromatic Carboxylates ◽  
Monte Carlo Simulated Annealing

The crystal structures of isostructural 2,6-naphthalenedicarboxylate tetrahydrate salts of nickel(II) and cobalt(II) have been determined using Monte Carlo simulated annealing techniques and laboratory X-ray powder diffraction data. These compounds crystallize in the triclinic space groupP\bar{1}, withZ= 2;a= 10.0851 (4),b= 10.9429 (5),c= 6.2639 (3) Å, α = 98.989 (2), β = 87.428 (3), γ = 108.015 (2)°,V= 649.32 (5) Å3for [Ni(C12H6O4)(H2O)4], anda= 10.1855 (6),b= 10.8921 (6),c= 6.2908 (5) Å, α = 98.519 (4), β = 87.563 (4), γ = 108.304 (3)°,V= 655.28 (8) Å3for [Co(C12H6O4)(H2O)4]. The water-molecule H atoms were located by quantum chemical geometry optimization usingCASTEP. The structure consists of alternating hydrocarbon and metal/oxygen layers parallel to theacplane. Each naphthalenedicarboxylate anion bridges two metal cations; each carboxyl group is monodentate. The resulting structure contains infinite chains parallel to [111]. The octahedral coordination sphere of the metal cations containstranscarboxylates and four equatorial water molecules. The carboxyl groups are rotated by 15–20° out of the naphthalene plane. The metal/oxygen layers are characterized by an extensive hydrogen-bonding network. The orientations of the carboxyl groups are determined by the formation of short (O...O = 2.53 Å) hydrogen bonds between the carbonyl O atoms and theciswater molecules. Molecular mechanics energy minimizations suggest that coordination and hydrogen-bonding interactions are most important in determining the crystal packing.

More examples of the 15-crown-5...H2O—M—OH2...15-crown-5 motif, M = Al3+, Cr3+ and Pd2+

2010 ◽  
Vol 66 (2) ◽  
pp. 213-221 ◽  
Author(s):  
Maxime A. Siegler ◽  
Jacob H. Prewitt ◽  
Steven P. Kelley ◽  
Sean Parkin ◽  
John P. Selegue ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Lattice Water Molecule ◽  
Literature Survey ◽  
The Other ◽  
Water Molecules ◽  
Lattice Water ◽  
Hydrogen Bonding Pattern ◽  
Hydrogen Bonded

Five structures of co-crystals grown from aqueous solutions equimolar in 15-crown-5 (or 15C5) and [M(H2O)6](NO3) n , M = Al3+, Cr3+ and Pd2+, are reported. The hydrogen-bonding patterns in all are similar: metal complexes including the fragment trans-H2O—M—OH2 alternate with 15C5 molecules, to which they are hydrogen bonded, to form stacks. A literature survey shows that this hydrogen-bonding pattern is very common. In each of the two polymorphs of the compound [Al(H2O)6](NO3)3·15C5·4H2O there are two independent cations; one forms hydrogen bonds directly to the 15C5 molecules adjacent in the stack, while the other cation is hydrogen-bonded to two water molecules that act as spacers in the stack. These stacks are then crosslinked by hydrogen bonds formed by the three nitrate counterions and the three lattice water molecules. The hydrogen-bonded stacks in [Cr(H2O)5(NO3)](NO3)2·1.5(15C5)·H2O are discrete rather than infinite; each unit contains two Cr3+ complex cations and three 15C5 molecules. These units are again crosslinked by the uncoordinated nitrate ions and a lattice water molecule. In [Pd(H2O)2(NO3)2]·15C5 the infinite stacks are electrically neutral and are not crosslinked. In [Pd(H2O)2(NO3)2]·2(15C5)·2H2O·2HNO3 a discrete, uncharged unit containing one Pd complex and two 15C5 molecules is `capped off' at either end by a lattice water molecule and an included nitric acid molecule. In all five structures the infinite stacks or discrete units form an array that is at least approximately hexagonal.

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.

Bis(μ-1H-benzimidazole-5,6-dicarboxylato)bis[tetraaquadicobalt(II)] pentahydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2657-m2658 ◽  
Author(s):  
Yu-Lin Lo ◽  
Wen-Chieh Wang ◽  
Gon-Ann Lee ◽  
Yen-Hsiang Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Type Complex

The title compound, [Co2(C9H4N2O4)2(H2O)8]·5H2O, contains two CoII ions that are bridged by two 1H-benzimidazole-5,6-dicarboxylate ligands to form an M 2 L 2 type complex (M = metal and L = ligand). There are two crystallographically distinct M 2 L 2 units, each on an inversion centre, along with coordinated and uncoordinated water molecules, in the asymmetric unit. The CoII ions are octahedral. Extensive hydrogen bonding exists between the complex and water molecules, and this helps to stabilize the crystal structure. One water molecule is disordered over two sites with occupancies 0.84:0.16.

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