Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane

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Two copper complex solvatomorphs, namely (3,10-C-meso-3,5,7,7,10,12,14,14- octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κO)copper(II) 1.2-hydrate, [Cu(ClO4)2(C18H 40N4)]·1.2H2O, (I), and (3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane) bis(perchlorato-κO...

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Autores principales: Nath, B.C., Suarez, S., Doctorovich, F., Roy, T.G., Baggio, R.
Formato: Artículo publishedVersion
Lenguaje:Inglés
Publicado: 2013
Materias:
Coordination environment
Copper complexes
Equatorial sites
Intramolecular hydrogen bonding
Molecular shapes
Octahedral environment
Perchlorate anions
Significant differences
Copper
Hydrates
Hydration
Hydrogen bonds
Inorganic compounds
Molecular orientation
Copper compounds
coordination compound
copper
ligand
solvent
article
chemical structure
chemistry
hydrogen bond
stereoisomerism
X ray crystallography
Coordination Complexes
Crystallography, X-Ray
Hydrogen Bonding
Ligands
Models, Molecular
Molecular Structure
Solvents
Stereoisomerism
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_01082701_v69_n7_p689_Nath
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling paperaa:paper_01082701_v69_n7_p689_Nath2023-06-12T16:46:37Z Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane Acta Crystallogr Sect C Cryst Struct Commun 2013;69(7):689-695 Nath, B.C. Suarez, S. Doctorovich, F. Roy, T.G. Baggio, R. Coordination environment Copper complexes Equatorial sites Intramolecular hydrogen bonding Molecular shapes Octahedral environment Perchlorate anions Significant differences Copper Hydrates Hydration Hydrogen bonds Inorganic compounds Molecular orientation Copper compounds coordination compound copper ligand solvent article chemical structure chemistry hydrogen bond stereoisomerism X ray crystallography Coordination Complexes Copper Crystallography, X-Ray Hydrogen Bonding Ligands Models, Molecular Molecular Structure Solvents Stereoisomerism Two copper complex solvatomorphs, namely (3,10-C-meso-3,5,7,7,10,12,14,14- octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κO)copper(II) 1.2-hydrate, [Cu(ClO4)2(C18H 40N4)]·1.2H2O, (I), and (3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane) bis(perchlorato-κO)copper(II), [Cu(ClO4)2(C 18H40N4)], (II), are described and compared with each other and with a third, already reported, anhydrous diastereomer, denoted (III). Both compounds present very similar centrosymmetic coordination environments, with the CuII cation lying on an inversion centre in a distorted 4+2 octahedral environment, defined by the macrocyclic N4 group in the equatorial sites and two perchlorate groups in trans-axial positions [one of the perchlorate ligands in (I) is partially disordered]. The most significant difference in molecular shape is seen in the orientation of the perchlorate anions, and the influence of this on the intramolecular hydrogen bonding is discussed. The (partially) hydrated state of (I) favours the formation of chains along [011], while the anhydrous character of (II) and (III) promotes loosely bound structures with low packing indices. © 2013 International Union of Crystallography. Fil:Suarez, S. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Doctorovich, F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2013 info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion application/pdf eng info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_01082701_v69_n7_p689_Nath
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
language Inglés
orig_language_str_mv eng
topic Coordination environment
Copper complexes
Equatorial sites
Intramolecular hydrogen bonding
Molecular shapes
Octahedral environment
Perchlorate anions
Significant differences
Copper
Hydrates
Hydration
Hydrogen bonds
Inorganic compounds
Molecular orientation
Copper compounds
coordination compound
copper
ligand
solvent
article
chemical structure
chemistry
hydrogen bond
stereoisomerism
X ray crystallography
Coordination Complexes
Copper
Crystallography, X-Ray
Hydrogen Bonding
Ligands
Models, Molecular
Molecular Structure
Solvents
Stereoisomerism
spellingShingle Coordination environment
Copper complexes
Equatorial sites
Intramolecular hydrogen bonding
Molecular shapes
Octahedral environment
Perchlorate anions
Significant differences
Copper
Hydrates
Hydration
Hydrogen bonds
Inorganic compounds
Molecular orientation
Copper compounds
coordination compound
copper
ligand
solvent
article
chemical structure
chemistry
hydrogen bond
stereoisomerism
X ray crystallography
Coordination Complexes
Copper
Crystallography, X-Ray
Hydrogen Bonding
Ligands
Models, Molecular
Molecular Structure
Solvents
Stereoisomerism
Nath, B.C.
Suarez, S.
Doctorovich, F.
Roy, T.G.
Baggio, R.
Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane
topic_facet Coordination environment
Copper complexes
Equatorial sites
Intramolecular hydrogen bonding
Molecular shapes
Octahedral environment
Perchlorate anions
Significant differences
Copper
Hydrates
Hydration
Hydrogen bonds
Inorganic compounds
Molecular orientation
Copper compounds
coordination compound
copper
ligand
solvent
article
chemical structure
chemistry
hydrogen bond
stereoisomerism
X ray crystallography
Coordination Complexes
Copper
Crystallography, X-Ray
Hydrogen Bonding
Ligands
Models, Molecular
Molecular Structure
Solvents
Stereoisomerism
description Two copper complex solvatomorphs, namely (3,10-C-meso-3,5,7,7,10,12,14,14- octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κO)copper(II) 1.2-hydrate, [Cu(ClO4)2(C18H 40N4)]·1.2H2O, (I), and (3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane) bis(perchlorato-κO)copper(II), [Cu(ClO4)2(C 18H40N4)], (II), are described and compared with each other and with a third, already reported, anhydrous diastereomer, denoted (III). Both compounds present very similar centrosymmetic coordination environments, with the CuII cation lying on an inversion centre in a distorted 4+2 octahedral environment, defined by the macrocyclic N4 group in the equatorial sites and two perchlorate groups in trans-axial positions [one of the perchlorate ligands in (I) is partially disordered]. The most significant difference in molecular shape is seen in the orientation of the perchlorate anions, and the influence of this on the intramolecular hydrogen bonding is discussed. The (partially) hydrated state of (I) favours the formation of chains along [011], while the anhydrous character of (II) and (III) promotes loosely bound structures with low packing indices. © 2013 International Union of Crystallography.
format Artículo
Artículo
publishedVersion
author Nath, B.C.
Suarez, S.
Doctorovich, F.
Roy, T.G.
Baggio, R.
author_facet Nath, B.C.
Suarez, S.
Doctorovich, F.
Roy, T.G.
Baggio, R.
author_sort Nath, B.C.
title Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane
title_short Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane
title_full Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane
title_fullStr Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane
title_full_unstemmed Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane
title_sort two solvatomorphic forms of a copper complex formulated as cu( 1)(clo4)2-1.2h2o and cu(1)(clo4)2, where 1 is 3,10-c-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane
publishDate 2013
url http://hdl.handle.net/20.500.12110/paper_01082701_v69_n7_p689_Nath
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