Indirect ligand attachment to metal centers via hydrogen bonding to coordinated water molecules

1983 ◽  
Vol 39 (7) ◽  
pp. 719-720 ◽  
Author(s):  
F. Smith ◽  
L. Prasad ◽  
D. Povey ◽  
M. Ladd
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecules ◽  
Metal Centers ◽  
Coordinated Water

scholarly journals Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato-κ2 N,N′}nickel(II) tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m809-m810 ◽  
Author(s):  
Chao-Zhu Li ◽  
Xue-Ren Huang
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Framework Structure ◽  
Distorted Octahedral Environment ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Coordinated Water

In the title complex, [Ni(C12H9N2O3S)2(H2O)2]·4H2O, the NiII ion is coordinated by four N atoms from two bidentate chelating 4-[(pyridin-2-yl)methylideneamino]benzenesulfonate ligands and two O atoms from cis-related water molecules in a slightly distorted octahedral environment [Ni—N = 2.071 (3)–2.121 (3) Å and Ni—O = 2.071 (2) and 2.073 (3) Å]. In the crystal, the coordinated water molecules and the four water molecules of solvation are involved in intermolecular O—H...O hydrogen-bonding interactions with water and sulfonate O-atom acceptors, giving a three-dimensional framework 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 2D and 3D Supramolecular Structures of trans- and cis-Octahedral Coordination Compounds of Ethyl-5-methyl-4-imidazolecarboxylate with Transition Metal Ions

2017 ◽  
Vol 56 (1) ◽  
Author(s):  
Víctor Adán Barrera-Guzmán ◽  
Raúl Ramírez-Trejo ◽  
Edgar Omar Rodríguez-Hernández ◽  
Noráh Barba- Behrens
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Compounds ◽  
Transition Metal Ions ◽  
Water Molecules ◽  
Supramolecular Arrangements ◽  
Important Intermediate ◽  
Coordinated Water ◽  
2D And 3D ◽  
Nitrate Anions ◽  
Pleated Sheet

Ethyl-5-methyl-4-imidazolecarboxylate (emizco) is an important intermediate in the synthesis of pharmacological active compounds. In this work, there were synthetized and characterized the following coordination compounds with emizco: <em>trans</em>-[Co(emizco)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub> <strong>1</strong>, <em>trans</em>-[Ni(emizco)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub> <strong>2</strong>, <em>trans</em>-[Cd(emizco)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub> (<strong>3</strong>) and <em>cis</em>-[Cd(emizco)<sub>2</sub>Br<sub>2</sub>] (<strong>4</strong>). 2D or 3D supramolecular arrangements were stabilized. All nitrate <em>trans</em> octahedral compounds stabilized a 3D supramolecular arrangement <em>via</em> hydrogen bonding, throughout the nitrate anions, the ligand and the coordinated water molecules; the <em>cis</em>-octahedral halide complex formed a 2D pleated sheet arrangement, by intermolecular π stacking and halide-hydrogen bonding.

scholarly journals Energetics competition in centrally four-coordinated water clusters and Raman spectroscopic signature for hydrogen bonding

RSC Advances ◽  
2017 ◽  
Vol 7 (19) ◽  
pp. 11680-11683 ◽  
Author(s):  
Bo Wang ◽  
Wanrun Jiang ◽  
Yang Gao ◽  
Zhiyuan Zhang ◽  
Changqing Sun ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Water Clusters ◽  
Water Molecules ◽  
Raman Spectroscopic ◽  
Central Molecule ◽  
Coordinated Water

Viaseparating the H-bonded neighbour molecules of centrally four-coordinated water molecules from other molecules in outer cages, the calculations discover these two regions interact competitively with the central molecule.

Poly[diaqua[μ4-4-(isonicotinamido)phthalato]nickel(II)] displaying ansratopology

2013 ◽  
Vol 69 (10) ◽  
pp. 1124-1127
Author(s):  
Man-Sheng Chen ◽  
Jin-Sheng Xu ◽  
Yi-Fang Deng ◽  
Chun-Hua Zhang
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Coordinated Water

In the title compound, [Ni(C14H8N2O5)(H2O)2]n, the NiIIcation is six-coordinate with a slightly distorted octahedral coordination geometry and the 4-(isonicotinamido)phthalate ligand links the NiIIcentres into a three-dimensional structure withsratopology. The structure is also stabilized by N—H...O hydrogen bonding between the uncoordinated amide groups of the ligand and extensive O—H...O hydrogen bonding between the two coordinated water molecules. The magnetic and thermal stability properties of the title compound are also discussed.

scholarly journals Poly[diaqua(μ4-3-fluorophthalato-κ4 O:O:O′:O′′)cadmium(II)]

2007 ◽  
Vol 63 (3) ◽  
pp. m695-m697 ◽  
Author(s):  
Diana Rishmawi ◽  
Katie Lewis ◽  
Mark D. Smith ◽  
LeRoy Peterson Jr ◽  
Hans-Conrad zur Loye
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Water Molecules ◽  
Π Interactions ◽  
Coordinated Water

The crystal structure of the title compound, [Cd(C8H3FO4)(H2O)2] n , consists of polymeric sheets formed by the bridging of octahedrally coordinated CdII by carboxylate O atoms of the 3-fluorophthalate (3-fpt2−) ligand. The layers exhibit hydrogen bonding between each of two coordinated water molecules and two O atoms of the ligand. Adjacent sheets are connected through π–π interactions.

scholarly journals Tetraaqua[2,6-diacetylpyridine bis(semicarbazone)]samarium(III) trinitrate

IUCrData ◽  
2018 ◽  
Vol 3 (10) ◽  
Author(s):  
Michael Gioia ◽  
Guy Crundwell ◽  
Barry L. Westcott
Keyword(s):  
Hydrogen Bonding ◽  
Metal Cation ◽  
Nitrate Group ◽  
Trigonal Prism ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonding ◽  
Lanthanide Nitrate ◽  
Tricapped Trigonal Prism ◽  
Nitrate Salts ◽  
Coordinated Water

The structure of tetraaqua[2,6-diacetylpyridine bis(semicarbazone)]samarium(III) trinitrate, [Sm(C11H15N7O2)(H2O)4](NO3)3, has monoclinic (P21/c) symmetry. The 2,6-diacetylpyridine (DAPSC) ligand is pentadentate. The coordination of the DAPSC ligand and four coordinated water molecules around the metal cation is best described as a distorted tricapped trigonal prism. The structure displays intermolecular hydrogen bonding. The structure is isomorphous with many other published lanthanide(III) nitrate salts with the DAPSC ligand, 2,6-diacetylpyridinebis(semicarbazone). One of the three nitrate counter-anions is disordered, which is consistent with the structures of other +3 lanthanide nitrate salts with DAPSC. Refinement of occupancies for the disordered nitrate group gave major and minor occupancies of 54.9 (14) and 45.1 (14)%, respectively.

CdII and CoII coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1H-benzimidazole ligands

2014 ◽  
Vol 70 (5) ◽  
pp. 488-492
Author(s):  
Xiao-Hua Chen ◽  
Hua Huang ◽  
Ming-Xing Yang ◽  
Li-Juan Chen ◽  
Shen Lin
Keyword(s):  
Hydrogen Bonding ◽  
Layer Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Dimensional Chain ◽  
One Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Complex Forms ◽  
Coordinated Water

In poly[aqua(μ3-benzene-1,4-dicarboxylato-κ5 O 1,O 1′:O 1:O 4,O 4′)[2-(pyridin-3-yl-κN)-1H-benzimidazole]cadmium(II)], [Cd(C8H4O4)(C12H9N3)(H2O)] n , (I), each CdII ion is seven-coordinated by the pyridine N atom from a 2-(pyridin-3-yl)benzimidazole (3-PyBIm) ligand, five O atoms from three benzene-1,4-dicarboxylate (1,4-bdc) ligands and one O atom from a coordinated water molecule. The complex forms an extended two-dimensional carboxylate layer structure, which is further extended into a three-dimensional network by hydrogen-bonding interactions. In catena-poly[[diaquabis[2-(pyridin-3-yl-κN)-1H-benzimidazole]cobalt(II)]-μ2-benzene-1,4-dicarboxylato-κ2 O 1:O 4], [Co(C8H4O4)(C12H9N3)2(H2O)2] n , (II), each CoII ion is six-coordinated by two pyridine N atoms from two 3-PyBIm ligands, two O atoms from two 1,4-bdc ligands and two O atoms from two coordinated water molecules. The complex forms a one-dimensional chain-like coordination polymer and is further assembled by hydrogen-bonding interactions to form a three-dimensional network.

scholarly journals Crystal structures oftrans-diaqua(3-R-1,3,5,8,12-pentaazacyclotetradecane)copper(II) isophthalate hydrates (R= benzyl or pyridin-3-ylmethyl)

2019 ◽  
Vol 75 (7) ◽  
pp. 1015-1019 ◽  
Author(s):  
Irina L. Andriichuk ◽  
Liudmyla V. Tsymbal ◽  
Vladimir B. Arion ◽  
Yaroslaw D. Lampeka
Keyword(s):  
Hydrogen Bonding ◽  
Metal Ion ◽  
Macrocyclic Ligand ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Bond Lengths ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Proton Donors ◽  
Coordinated Water

The asymmetric units of the title compounds,trans-diaqua(3-benzyl-1,3,5,8,12-pentaazacyclotetradecane-κ4N1,N5,N8,N12)copper(II) isophthalate monohydrate, [Cu(C16H29N5)(H2O)2](C8H4O4)·H2O, (I), andtrans-diaqua[3-(pyridin-3-ylmethyl)-1,3,5,8,12-pentaazacyclotetradecane-κ4N1,N5,N8,N12]copper(II) isophthalate 0.9-hydrate, [Cu(C15H28N6)(H2O)2](C8H4O4)·0.9H2O, (II) consist of one diaqua macrocyclic cation, one dicarboxylate anion and uncoordinated water molecule(s). In each compound, the metal ion is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutuallytransO atoms of the water molecules in a tetragonally distorted octahedral geometry. The average equatorial Cu—N bond lengths are significantly shorter than the average axial Cu—O bond lengths [2.020 (9)versus2.495 (12) Å and 2.015 (4)versus2.507 (7) Å for (I) and (II), respectively]. The coordinated macrocyclic ligand in the cations of both compounds adopts the most energetically favorabletrans-III conformation. In the crystals, the complex cations and counter-anions are connectedviahydrogen-bonding interactions between the N—H groups of the macrocycles and the O—H groups of coordinated water molecules as the proton donors and the O atoms of the carboxylate as the proton acceptors. Additionally, as a result of O—H...O hydrogen bonding with the coordinated and water molecules of crystallization, the isophthalate dianions form layers lying parallel to the (\overline{1}01) and (100) planes in (I) and (II), respectively.

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