scholarly journals A second solvatomorph of poly[[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Maksym O. Plutenko ◽  
Matti Haukka ◽  
Alina O. Husak ◽  
Irina A. Golenya ◽  
Nurullo U. Mulloev
Keyword(s):  
Title Compound ◽  
Geometry Optimization ◽  
Water Molecules ◽  
Acta Cryst ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Semi Empirical ◽  
Complex Anions ◽  
Positively Charged ◽  
Polymeric Framework

The title compound, poly[triaquabis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]dinickel(II)tetrapotassium], [K4Ni2(C7H6N4O7)2(H2O)3] n , is a second solvatomorph of poly[(μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)nickel(II)dipotassium] reported previously [Plutenko et al. (2021). Acta Cryst. E77, 298–304]. The asymmetric unit of the title compound includes two structurally independent complex anions [Ni(C7H6N4O7)]2−, which exhibit an L-shaped geometry and consist of two almost flat fragments perpendicular to one another: the 1,3,5-oxadiazinane fragment and the fragment including other atoms of the anion. The central Ni atom is in a square-planar N2O2 coordination arrangement formed by two amide N and two carboxylate O atoms. In the crystal, the title compound forms a layered structure in which layers of negatively charged complex anions and positively charged potassium cations are stacked along the a-axis direction. The polymeric framework is stabilized by a system of hydrogen-bonding interactions in which the water molecules act as donors and the carboxylic, amide and water O atoms act as acceptors.

Hexaaquanickel(II) bis{[N-(2-hydroxybenzylidene)alanylglycinato]cuprate(II)} dodecahydrate

2006 ◽  
Vol 62 (7) ◽  
pp. m1508-m1509
Author(s):  
Bin Xu ◽  
Yan-Yan Zhang ◽  
Wen-Long Liu ◽  
Xiao-Ya Hu
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Schiff Base Ligand ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Solvent Water ◽  
Square Planar ◽  
Complex Anions

The crystal structure of the title compound, [Ni(H2O)6][Cu(C12H11N2O4)]2·12H2O, consists of CuII complex anions, NiII complex cations and solvent water molecules. The CuII ion is located on a general position and coordinated by a Schiff base ligand with a square-planar CuN2O2 geometry. The NiII ion is located on an inversion center and coordinated by six water molecules in an octahedral geometry.

A trinuclear copper(II) complex: triaquachlorotriperchloratobis[μ2-3-(2-pyridylmethylamino)butyrato]tricopper(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m690-m692
Author(s):  
Ki-Young Choi ◽  
Kyu-Chul Lee ◽  
Han-Hyoung Lee ◽  
Jaejung Ko ◽  
Won-Sik Han
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonding ◽  
Carboxylate Groups ◽  
Square Planar

In the title compound, [Cu3(C10H13N2O2)2Cl(ClO4)3(H2O)3]·2H2O, the Cu atoms exhibit octahedral, square-pyramidal and square-planar coordination environments, and they are linked by carboxylate groups to form a trinuclear structure. The five water molecules participate in intra- and intermolecular hydrogen bonding.

[N,N′-Bis(diphenylphosphino)pyridine-2,6-diamine-κ3 P,N 1,P′]chloropalladium(II) chloride monohydrate 1,2-dichloroethane solvate

2006 ◽  
Vol 62 (5) ◽  
pp. m1106-m1108 ◽  
Author(s):  
Julia Wiedermann ◽  
David Benito-Garagorri ◽  
Karl Kirchner ◽  
Kurt Mereiter
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Weak Interactions ◽  
Water Molecules ◽  
Square Planar ◽  
Chloride Monohydrate

The title compound, [PdCl(C29H25N3P2)]Cl·H2O·C2H4Cl2, contains a cationic pincer-type PNP complex with Pd in a square-planar coordination. The complexes form dimers which are π–π stacked via their pyridine rings and linked into chains via hydrogen bonds via four-membered rings of two chloride anions and two water molecules. Pairs of 1,2-dichloroethane molecules are entrapped in pockets of the structure and show weak interactions with palladium.

scholarly journals Crystal structure of bis(μ2-4-tert-butyl-2-formylphenolato)-1:2κ3O1,O2:O1;3:4κ3O1,O2:O1-bis(4-tert-butyl-2-formylphenolato)-2κ2O1,O2;4κ2O1,O2-di-μ3-methoxido-1:2:3κ3O;1:3:4κ3O-di-μ2-methoxido-1:4κ2O;2:3κ2O-tetracopper(II)

2015 ◽  
Vol 71 (3) ◽  
pp. 324-326
Author(s):  
Bernhard Eberhard Christian Bugenhagen ◽  
Marc Heinrich Prosenc
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Title Compound ◽  
Coordination Environment ◽  
Dinuclear Copper ◽  
Tert Butyl ◽  
Hydrogen Bonding Interactions ◽  
Square Planar

The structure of the title compound, [Cu4(CH3O)4(C11H13O2)4], consists of dimeric dinuclear copper(II) complexes oriented around a centre of inversion. Within each dinuclear fragment, the two CuIIatoms are in a distorted square-planar coordination sphere. Two neighbouring fragments are linked by four apical Cu—O contacts, yielding an overall square-pyramidal coordination environment for each of the four CuIIatoms. The molecules are arranged in layers parallel to (101). Non-classical C—H...O hydrogen-bonding interactions are observed between the layers.

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.

A hexaniobate expanded by six [Hg(cyclam)]2+ complexes via Hg–O bonds yields a positively charged polyoxoniobate cluster

2020 ◽  
Vol 75 (1-2) ◽  
pp. 233-237 ◽  
Author(s):  
Philipp Müscher-Polzin ◽  
Christian Näther ◽  
Wolfgang Bensch
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Room Temperature ◽  
Bond Formation ◽  
Water Molecules ◽  
The Novel ◽  
Temperature Reaction ◽  
Crystal Water ◽  
Nitrate Anions ◽  
Positively Charged

AbstractThe room temperature reaction of Hg(NO3)2 · H2O, cyclam (cyclam = 1,4,8,11-tetraazacyclotetradecane) and K8{Nb6O19} · 16 H2O in a mixture of H2O and DMSO led to crystallization of the novel compound {[Hg(cyclam)]6Nb6O19}(NO3)4 · 14 H2O, which is the first mercury containing polyoxoniobate. The structure consists of a {Nb6O19}8− cluster core which is expanded by six [Hg(cyclam)]2+ complexes via Hg–μ2-O–Nb bond formation. The title compound contains a positively charged polyoxoniobate cluster. The crystal water molecules form small aggregates by O–H · · · O hydrogen bonding which are joined into larger aggregates by N–O · · · H–O hydrogen bonding integrating the nitrate anions.

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.

catena-Poly[[[bis(2-methyl-1H-imidazole-κN 3)copper(II)]-μ-biphenyl-2,2′-dicarboxylato-κ2 O:O′] dihydrate]

2007 ◽  
Vol 63 (11) ◽  
pp. m2636-m2636
Author(s):  
Liang Wang ◽  
Xiu-Ying Li ◽  
Yang Liu ◽  
Jian Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Water Molecules ◽  
Zigzag Chain ◽  
Coordination Environment ◽  
Square Planar ◽  
Two Sides

In the title compound, {[Cu(C14H8O4)(C4H6N2)2]·2H2O} n , each CuII atom is four-coordinated by two N atoms from two 2-methyl-1H-imidazole (mi) ligands and two O atoms from two biphenyl-2,2′-dicarboxylate (dpdc) anions in a distorted square-planar coordination environment. Each dpdc ligand bridges two neighboring CuII atoms in a bis-monodentate mode, forming a zigzag chain along the b axis. These chains are decorated with mi ligands alternately on the two sides. O—H...O and N—H...O hydrogen bonds involving the water molecules link the chains together, forming a supramolecular structure.

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 Bis[2,3-bis(pyridin-2-yl)pyrazine-κ2 N 2,N 3]palladium(II) dinitrate acetonitrile monosolvate

IUCrData ◽  
2021 ◽  
Vol 6 (2) ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Planar Geometry ◽  
Intermolecular Hydrogen Bonds ◽  
Complex Molecules ◽  
Square Planar ◽  
Complex Anions

The title compound, [Pd(C14H10N4)2](NO3)2·CH3CN, consists of a cationic PdII complex, two anions and one lattice solvent molecule, all in general positions. In the complex, the PdII cation is four-coordinated in a slightly distorted square-planar geometry defined by the four N atoms of two bidentate 2,3-di-2-pyridylpyrazine ligands. The complex, anions and solvent molecule are linked by weak C—H...O intermolecular hydrogen bonds. In the crystal, the complex molecules are stacked in columns along the a axis.

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