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
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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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v69_n7_p689_Nath http://hdl.handle.net/20.500.12110/paper_01082701_v69_n7_p689_Nath |
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paper:paper_01082701_v69_n7_p689_Nath2023-06-08T15:10:46Z 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 Suarez, Sebastian Doctorovich, Fabio Ariel 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 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v69_n7_p689_Nath 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) |
| 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 Suarez, Sebastian Doctorovich, Fabio Ariel 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. |
| author |
Suarez, Sebastian Doctorovich, Fabio Ariel |
| author_facet |
Suarez, Sebastian Doctorovich, Fabio Ariel |
| author_sort |
Suarez, Sebastian |
| 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 |
https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v69_n7_p689_Nath http://hdl.handle.net/20.500.12110/paper_01082701_v69_n7_p689_Nath |
| work_keys_str_mv |
AT suarezsebastian twosolvatomorphicformsofacoppercomplexformulatedascu1clo4212h2oandcu1clo42where1is310cmeso357710121414octamethyl14811tetraazacyclotetradecane AT doctorovichfabioariel twosolvatomorphicformsofacoppercomplexformulatedascu1clo4212h2oandcu1clo42where1is310cmeso357710121414octamethyl14811tetraazacyclotetradecane |
| _version_ |
1768542357898133504 |