(μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis

The full molecule of the binuclear title compound, [Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2], is generated by the application of a centre of inversion located at the middle of the central CH2-CH2 bond of the adipate dianion; the latter chelates a CdII atom at each end. Along with two carboxylate-O atoms, the...

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Main Authors: Rahman, W.S.K.A., Ahmad, J., Halim, S.N.A., Jotani, M.M., Tiekink, E.R.T.
Format: Article
Language:English
Published: International Union of Crystallography 2017
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Online Access:http://eprints.um.edu.my/19053/1/Crystal_structure_and_Hirshfeld_surface_analysis.pdf
http://eprints.um.edu.my/19053/
http://dx.doi.org/10.1107/S2056989017011677
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spelling my.um.eprints.190532018-09-03T04:57:36Z http://eprints.um.edu.my/19053/ (μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis Rahman, W.S.K.A. Ahmad, J. Halim, S.N.A. Jotani, M.M. Tiekink, E.R.T. Q Science (General) QD Chemistry The full molecule of the binuclear title compound, [Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2], is generated by the application of a centre of inversion located at the middle of the central CH2-CH2 bond of the adipate dianion; the latter chelates a CdII atom at each end. Along with two carboxylate-O atoms, the CdII ion is coordinated by the two N atoms of the chelating benzene-1,2-diamine ligand, a Cl- anion and an aqua ligand to define a distorted octahedral CdClN2O3 coordination geometry with the monodentate ligands being mutually cis. The disparity in the Cd-N bond lengths is related to the relative trans effect exerted by the Cd-O bonds formed by the carboxylate-O and aqua-O atoms. The packing features water-O-H⋯O(carboxylate) and benzene-1,2-diamine-N-H⋯Cl hydrogen bonds, leading to layers that stack along the a-axis direction. The lack of directional interactions between the layers is confirmed by a Hirshfeld surface analysis. International Union of Crystallography 2017 Article PeerReviewed application/pdf en http://eprints.um.edu.my/19053/1/Crystal_structure_and_Hirshfeld_surface_analysis.pdf Rahman, W.S.K.A. and Ahmad, J. and Halim, S.N.A. and Jotani, M.M. and Tiekink, E.R.T. (2017) (μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis. Acta Crystallographica Section E: Crystallographic Communications, 73 (9). pp. 1363-1367. ISSN 2056-9890 http://dx.doi.org/10.1107/S2056989017011677 doi:10.1107/S2056989017011677
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
language English
topic Q Science (General)
QD Chemistry
spellingShingle Q Science (General)
QD Chemistry
Rahman, W.S.K.A.
Ahmad, J.
Halim, S.N.A.
Jotani, M.M.
Tiekink, E.R.T.
(μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis
description The full molecule of the binuclear title compound, [Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2], is generated by the application of a centre of inversion located at the middle of the central CH2-CH2 bond of the adipate dianion; the latter chelates a CdII atom at each end. Along with two carboxylate-O atoms, the CdII ion is coordinated by the two N atoms of the chelating benzene-1,2-diamine ligand, a Cl- anion and an aqua ligand to define a distorted octahedral CdClN2O3 coordination geometry with the monodentate ligands being mutually cis. The disparity in the Cd-N bond lengths is related to the relative trans effect exerted by the Cd-O bonds formed by the carboxylate-O and aqua-O atoms. The packing features water-O-H⋯O(carboxylate) and benzene-1,2-diamine-N-H⋯Cl hydrogen bonds, leading to layers that stack along the a-axis direction. The lack of directional interactions between the layers is confirmed by a Hirshfeld surface analysis.
format Article
author Rahman, W.S.K.A.
Ahmad, J.
Halim, S.N.A.
Jotani, M.M.
Tiekink, E.R.T.
author_facet Rahman, W.S.K.A.
Ahmad, J.
Halim, S.N.A.
Jotani, M.M.
Tiekink, E.R.T.
author_sort Rahman, W.S.K.A.
title (μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis
title_short (μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis
title_full (μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis
title_fullStr (μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis
title_full_unstemmed (μ2-Adipato-κ4 O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2 N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis
title_sort (μ2-adipato-κ4 o,o′:o′′,o′′′)bis[aqua(benzene-1,2-diamine-κ2 n,n′)chloridocadmium]: crystal structure and hirshfeld surface analysis
publisher International Union of Crystallography
publishDate 2017
url http://eprints.um.edu.my/19053/1/Crystal_structure_and_Hirshfeld_surface_analysis.pdf
http://eprints.um.edu.my/19053/
http://dx.doi.org/10.1107/S2056989017011677
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score 13.211869