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Diaqua­dichloridobis[quinazolin-4(1H)-one-κN (3)]copper(II)

In the title complex, [CuCl(2)(C(8)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) ion is located on an inversion center and is octahedrally coordinated by two N atoms of the 1H-quinazolin-4-one ligand, two chloride ligands and two aqua ligands. The axial Cu—O distances are significantly longer [2.512 (2) Å],...

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Autores principales: Turgunov, Kambarali, Shomurotova, Shirin, Mukhamedov, Nasir, Tashkhodjaev, Bakhodir
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011606/
https://www.ncbi.nlm.nih.gov/pubmed/21589337
http://dx.doi.org/10.1107/S1600536810048890
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author Turgunov, Kambarali
Shomurotova, Shirin
Mukhamedov, Nasir
Tashkhodjaev, Bakhodir
author_facet Turgunov, Kambarali
Shomurotova, Shirin
Mukhamedov, Nasir
Tashkhodjaev, Bakhodir
author_sort Turgunov, Kambarali
collection PubMed
description In the title complex, [CuCl(2)(C(8)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) ion is located on an inversion center and is octahedrally coordinated by two N atoms of the 1H-quinazolin-4-one ligand, two chloride ligands and two aqua ligands. The axial Cu—O distances are significantly longer [2.512 (2) Å], than the Cu—N [2.022 (2) Å] and Cu—Cl [2.3232 (4) Å] distances as a result of Jahn–Teller distortion. Aqua ligands are involved in intra- and inter­molecular hydrogen bonding, and N—H⋯O inter­molecular hydrogen bonds are formed between the organic ligands. In addition, weak π–π inter­actions are observed between the benzene rings of the ligand [centroid–centroid distance = 3.678 (1) Å].
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spelling pubmed-30116062010-12-30 Diaqua­dichloridobis[quinazolin-4(1H)-one-κN (3)]copper(II) Turgunov, Kambarali Shomurotova, Shirin Mukhamedov, Nasir Tashkhodjaev, Bakhodir Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title complex, [CuCl(2)(C(8)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) ion is located on an inversion center and is octahedrally coordinated by two N atoms of the 1H-quinazolin-4-one ligand, two chloride ligands and two aqua ligands. The axial Cu—O distances are significantly longer [2.512 (2) Å], than the Cu—N [2.022 (2) Å] and Cu—Cl [2.3232 (4) Å] distances as a result of Jahn–Teller distortion. Aqua ligands are involved in intra- and inter­molecular hydrogen bonding, and N—H⋯O inter­molecular hydrogen bonds are formed between the organic ligands. In addition, weak π–π inter­actions are observed between the benzene rings of the ligand [centroid–centroid distance = 3.678 (1) Å]. International Union of Crystallography 2010-11-27 /pmc/articles/PMC3011606/ /pubmed/21589337 http://dx.doi.org/10.1107/S1600536810048890 Text en © Turgunov et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Turgunov, Kambarali
Shomurotova, Shirin
Mukhamedov, Nasir
Tashkhodjaev, Bakhodir
Diaqua­dichloridobis[quinazolin-4(1H)-one-κN (3)]copper(II)
title Diaqua­dichloridobis[quinazolin-4(1H)-one-κN (3)]copper(II)
title_full Diaqua­dichloridobis[quinazolin-4(1H)-one-κN (3)]copper(II)
title_fullStr Diaqua­dichloridobis[quinazolin-4(1H)-one-κN (3)]copper(II)
title_full_unstemmed Diaqua­dichloridobis[quinazolin-4(1H)-one-κN (3)]copper(II)
title_short Diaqua­dichloridobis[quinazolin-4(1H)-one-κN (3)]copper(II)
title_sort diaqua­dichloridobis[quinazolin-4(1h)-one-κn (3)]copper(ii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011606/
https://www.ncbi.nlm.nih.gov/pubmed/21589337
http://dx.doi.org/10.1107/S1600536810048890
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