Formation of supramolecular hydrogen-bonding chains and networks from copper (II) halogenobenzoates with N-methylnicotinamide: Supramolecular isomerism

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F20%3A39915533" target="_blank" >RIV/00216275:25310/20:39915533 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/abs/pii/S0277538719306825" target="_blank" >https://www.sciencedirect.com/science/article/abs/pii/S0277538719306825</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.poly.2019.114237" target="_blank" >10.1016/j.poly.2019.114237</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Formation of supramolecular hydrogen-bonding chains and networks from copper (II) halogenobenzoates with N-methylnicotinamide: Supramolecular isomerism

Popis výsledku v původním jazyce

The self-assembly of supramolecular structures from copper (11) halogenobenzoate complexes containing N-methylnicotinamide ligand have been explored. The following compound and polymorph structures were determined by single-crystal X-ray structural analysis-the compounds [Cu(4-Fbz)(2)(mna)(2)(H2O)], [Cu(4-Clbz)(2)(mna)(2)(H2O)], [Cu(4-Brbz)(2)(mna)(2)(H2O)], two polymorphs of [Cu(2,6-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(3,5-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(3-Fbz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, and [Cu(3-Clbz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, two polymorphs of [Cu(3-Brbz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(3-Ibz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(2,5-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(2,3-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot H2O, [Cu (2,6-Cl(2)bz)(2)(mna)(2)(H2O)]center dot 2H(2)O, [Cu(3,4-Cl(2)bz)(2)(mna)(2)(H2O)]center dot 2H(2)O, [Cu(3-Brbz)(2)(mna)(2)(H2O)] and [Cu (2-Fbz)(2)(mna)(2)(mu-H2O)](n), (mna = N-methylnicotinamide, 4-Fbz = 4-fluorobenzoate, 4-Clbz = 4-chlorobenzoate, 4-Brbz = 4-bromobenzoate, 3-Fbz = 3-fluorobenzoate, 3-Clbz = 3-chlorobenzoate, 3-Brbz = 3-bromobenzoate, 3-lbz = 3-iodobenzoate, 2-lbz = 2-iodobenzoate, 2,3-Cl(2)bz = 2,3-dichlorobenzoate, 2,5-Cl(2)bz = 2,5-dichlorobenzoate, 2,6-Cl(2)bz = 2,6-dichlorobenzoate, 3,4-Cl(2)bz = 3,4-dichlorobenzoate and 3,5-Cl(2)bz = 3,5-dichlorobenzoate). The compounds are monomeric complexes with a distorted octahedral or square-pyramidal coordination sphere around Cu2+ ion. The two polymorph sets of [Cu(2,6-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O and [Cu(3-Brbz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O are two examples of coordination compounds which are conformation and supramolecular isomers. The crystal structure of complex [Cu(4-Fbz)(2)(mna)(2)(H2O)] shows the phase transition in two temperatures. The compound [Cu (2-Fbz)(2)(mna)(2)(mu-H2O)In is a coordination polymer with bridging aqua ligand. The molecules of all compounds are connected by N-H center dot center dot center dot 0 and O-H center dot center dot center dot O hydrogen bonds from NHCH3 groups of N-methylnicotinamide and water molecules which create supramolecular hydrogen-bonding-coordination chains and networks. The intermolecular interactions were studied by Hirshfeld surface analysis.

Název v anglickém jazyce

Formation of supramolecular hydrogen-bonding chains and networks from copper (II) halogenobenzoates with N-methylnicotinamide: Supramolecular isomerism

Popis výsledku anglicky

The self-assembly of supramolecular structures from copper (11) halogenobenzoate complexes containing N-methylnicotinamide ligand have been explored. The following compound and polymorph structures were determined by single-crystal X-ray structural analysis-the compounds [Cu(4-Fbz)(2)(mna)(2)(H2O)], [Cu(4-Clbz)(2)(mna)(2)(H2O)], [Cu(4-Brbz)(2)(mna)(2)(H2O)], two polymorphs of [Cu(2,6-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(3,5-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(3-Fbz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, and [Cu(3-Clbz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, two polymorphs of [Cu(3-Brbz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(3-Ibz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(2,5-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O, [Cu(2,3-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot H2O, [Cu (2,6-Cl(2)bz)(2)(mna)(2)(H2O)]center dot 2H(2)O, [Cu(3,4-Cl(2)bz)(2)(mna)(2)(H2O)]center dot 2H(2)O, [Cu(3-Brbz)(2)(mna)(2)(H2O)] and [Cu (2-Fbz)(2)(mna)(2)(mu-H2O)](n), (mna = N-methylnicotinamide, 4-Fbz = 4-fluorobenzoate, 4-Clbz = 4-chlorobenzoate, 4-Brbz = 4-bromobenzoate, 3-Fbz = 3-fluorobenzoate, 3-Clbz = 3-chlorobenzoate, 3-Brbz = 3-bromobenzoate, 3-lbz = 3-iodobenzoate, 2-lbz = 2-iodobenzoate, 2,3-Cl(2)bz = 2,3-dichlorobenzoate, 2,5-Cl(2)bz = 2,5-dichlorobenzoate, 2,6-Cl(2)bz = 2,6-dichlorobenzoate, 3,4-Cl(2)bz = 3,4-dichlorobenzoate and 3,5-Cl(2)bz = 3,5-dichlorobenzoate). The compounds are monomeric complexes with a distorted octahedral or square-pyramidal coordination sphere around Cu2+ ion. The two polymorph sets of [Cu(2,6-Cl(2)bz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O and [Cu(3-Brbz)(2)(mna)(2)(H2O)(2)]center dot 2H(2)O are two examples of coordination compounds which are conformation and supramolecular isomers. The crystal structure of complex [Cu(4-Fbz)(2)(mna)(2)(H2O)] shows the phase transition in two temperatures. The compound [Cu (2-Fbz)(2)(mna)(2)(mu-H2O)In is a coordination polymer with bridging aqua ligand. The molecules of all compounds are connected by N-H center dot center dot center dot 0 and O-H center dot center dot center dot O hydrogen bonds from NHCH3 groups of N-methylnicotinamide and water molecules which create supramolecular hydrogen-bonding-coordination chains and networks. The intermolecular interactions were studied by Hirshfeld surface analysis.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Polyhedron

ISSN

0277-5387

e-ISSN

—

Svazek periodika

175

Číslo periodika v rámci svazku

January

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

15

Strana od-do

114237

Kód UT WoS článku

000504781100030

EID výsledku v databázi Scopus

2-s2.0-85075484659