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四-μ-乙酸根-κO:O'-双-[(3,5-二甲基-1H-吡唑-κN)-铜(II)]

Tetra-μ-acetato-κO:O'-bis-[(3,5-di-methyl-1H-pyrazole-κN)-copper(II)].

作者信息

van Wyk Juanita, Omondi Bernard, Darkwa James

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):m1299. doi: 10.1107/S1600536811032600. Epub 2011 Aug 27.

DOI:10.1107/S1600536811032600
PMID:22065823
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200851/
Abstract

The dinuclear centrosymmetric title compound, [Cu(2)(CH(3)CO(2))(4)(C(5)H(8)N(2))(2)], has a distorted square-pyramidal coordination geometry around each Cu(II) atom in which four O atoms from the bridging acetate ligands form the basal plane while two N atoms from the pyrazole ligands occupy the apical positions. The crystal has two half mol-ecules in the asymmetric unit with a Cu⋯Cu distance of 2.6762 (4) Å. Disorder was found for two O atoms and two C atoms of one acetate ligand and refined with occupancies of 0.265 (7) and 0.735 (7). The crystal also features mol-ecules linked through two N-H⋯O hydrogen bonds resulting in one-dimensional chains extending along the crystallographic b axis.

摘要

双核中心对称标题化合物[Cu₂(CH₃CO₂)₄(C₅H₈N₂)₂]中，每个Cu(II)原子周围具有扭曲的四方锥配位几何构型，其中来自桥连乙酸根配体的四个O原子形成基面，而来自吡唑配体的两个N原子占据顶端位置。晶体的不对称单元中有两个半分子，Cu⋯Cu距离为2.6762 (4) Å。发现一个乙酸根配体的两个O原子和两个C原子存在无序，占有率分别为0.265 (7)和0.735 (7)进行精修。该晶体还具有通过两个N—H⋯O氢键相连的分子，形成沿结晶学b轴延伸的一维链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/17d4/3200851/a281e70091c6/e-67-m1299-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/17d4/3200851/ff4b2a0968f1/e-67-m1299-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/17d4/3200851/a281e70091c6/e-67-m1299-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/17d4/3200851/ff4b2a0968f1/e-67-m1299-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/17d4/3200851/a281e70091c6/e-67-m1299-fig2.jpg

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本文引用的文献

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