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链状聚[[二水合钙]双-[μ-2-(1,3-二氧代异吲哚啉-2-基)乙酸根]-κO,O':O;κO:O,O']

catena-Poly[[diaqua-calcium]bis-[μ-2-(1,3-dioxoisoindolin-2-yl)acetato]-κO,O':O;κO:O,O'].

作者信息

Bhatti Moazzam H, Yunus Uzma, Saeed Sohail, Shah Syed Raza, Wong Wing-Tak

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):m1102-3. doi: 10.1107/S1600536811027851. Epub 2011 Jul 16.

DOI:10.1107/S1600536811027851
PMID:22090875
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3212173/
Abstract

In the title complex, Ca(C(10)H(6)NO(4))(2)(H(2)O)(2), the Ca(II) atom lies on a twofold rotation axis and adopts a dodeca-hedral geometry. The Ca(II) atom is octa-coordinated by two O atoms from two water mol-ecules and six O atoms from four acetate ligands. Each acetate acts as a tridentate ligand bridging two Ca(II) atoms, resulting in a chain running along the c axis. O-H⋯O and C-H⋯O hydrogen bonds connect the chains into a two-dimensional network parallel to [011]. π-π inter-actions between adjacent isoindoline-1,3-dione rings [centroid-centroid distance = 3.4096 (11) Å] further consolidate the structure. One of the carboxylate O atoms is disordered over two sites in a 0.879 (12):0.121 (12) ratio.

摘要

在标题配合物[Ca(C₁₀H₆NO₄)₂(H₂O)₂]ₙ中，Ca(II)原子位于二重旋转轴上，呈十二面体几何构型。Ca(II)原子由两个水分子中的两个O原子和四个乙酸根配体中的六个O原子八配位。每个乙酸根作为三齿配体桥连两个Ca(II)原子，形成沿c轴延伸的链。O—H⋯O和C—H⋯O氢键将这些链连接成平行于[011]的二维网络。相邻异吲哚啉-1,3-二酮环之间的π-π相互作用[质心-质心距离 = 3.4096 (11) Å]进一步巩固了该结构。其中一个羧酸根O原子在两个位置上无序分布，比例为0.879 (12):0.121 (12)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/947e/3212173/3fa49b740dbb/e-67-m1102-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/947e/3212173/446a93a90e0a/e-67-m1102-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/947e/3212173/3fa49b740dbb/e-67-m1102-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/947e/3212173/446a93a90e0a/e-67-m1102-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/947e/3212173/3fa49b740dbb/e-67-m1102-fig2.jpg

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本文引用的文献

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