Aquachlorido(4-methylbenzoato-κO)(1,10-phenanthroline-κ2N,N′)copper(II)

Aquachlorido(4-methylbenzoato-κO)(1,10-phenanthroline-κ2N,N′)copper(II)

In the title mononuclear complex, [Cu(C8H7O2)Cl(C12H8N2)(H2O)], the CuII atom is coordinated by one carboxylate O atom from a monodentate 4-methylbenzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water molecule in a square-pyramidal geometry. The crystal stru...

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Main Authors: Yan-Li Miao, Hao Wang, Wen-Dong Song
Format: Article
Language:English
Published: International Union of Crystallography 2008-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808010945
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spelling doaj-1082b4109d794073ac6bae6c216a0cc52020-11-24T21:22:14ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-05-01645m716m71610.1107/S1600536808010945Aquachlorido(4-methylbenzoato-κO)(1,10-phenanthroline-κ2N,N′)copper(II)Yan-Li MiaoHao WangWen-Dong SongIn the title mononuclear complex, [Cu(C8H7O2)Cl(C12H8N2)(H2O)], the CuII atom is coordinated by one carboxylate O atom from a monodentate 4-methylbenzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water molecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intramolecular C—H...Cl, C—H...O, O—H...Cl and O—H...O hydrogen bonds, as well as C—H...π interactions of phenanthroline and methyl H atoms towards the π-systems of neighboring 4-methylbenzoate units and the pyridine rings of the phenanthroline system [centroid–centroid distances are 2.706 (2) and 2.992 (1) Å, respectively].http://scripts.iucr.org/cgi-bin/paper?S1600536808010945
collection DOAJ
language English
format Article
sources DOAJ
author Yan-Li Miao
Hao Wang
Wen-Dong Song
spellingShingle Yan-Li Miao
Hao Wang
Wen-Dong Song
Aquachlorido(4-methylbenzoato-κO)(1,10-phenanthroline-κ2N,N′)copper(II)
Acta Crystallographica Section E
author_facet Yan-Li Miao
Hao Wang
Wen-Dong Song
author_sort Yan-Li Miao
title Aquachlorido(4-methylbenzoato-κO)(1,10-phenanthroline-κ2N,N′)copper(II)
title_short Aquachlorido(4-methylbenzoato-κO)(1,10-phenanthroline-κ2N,N′)copper(II)
title_full Aquachlorido(4-methylbenzoato-κO)(1,10-phenanthroline-κ2N,N′)copper(II)
title_fullStr Aquachlorido(4-methylbenzoato-κO)(1,10-phenanthroline-κ2N,N′)copper(II)
title_full_unstemmed Aquachlorido(4-methylbenzoato-κO)(1,10-phenanthroline-κ2N,N′)copper(II)
title_sort aquachlorido(4-methylbenzoato-κo)(1,10-phenanthroline-κ2n,n′)copper(ii)
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2008-05-01
description In the title mononuclear complex, [Cu(C8H7O2)Cl(C12H8N2)(H2O)], the CuII atom is coordinated by one carboxylate O atom from a monodentate 4-methylbenzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water molecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intramolecular C—H...Cl, C—H...O, O—H...Cl and O—H...O hydrogen bonds, as well as C—H...π interactions of phenanthroline and methyl H atoms towards the π-systems of neighboring 4-methylbenzoate units and the pyridine rings of the phenanthroline system [centroid–centroid distances are 2.706 (2) and 2.992 (1) Å, respectively].
url http://scripts.iucr.org/cgi-bin/paper?S1600536808010945
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AT haowang aquachlorido4methylbenzoato954o110phenanthroline9542nn8242copperii
AT wendongsong aquachlorido4methylbenzoato954o110phenanthroline9542nn8242copperii
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