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链状聚[[(乙醇-κO)[3-(1-苯基-1H-吡唑-3-基)苯甲酸-κO]锂]-μ-3-(1-苯基-1H-吡唑-3-基)苯甲酸根-κO:O']

catena-Poly[[(ethanol-κO)[3-(1-phenyl-1H-pyrazol-3-yl)benzoic acid-κO]lithium]-μ-3-(1-phenyl-1H-pyrazol-3-yl)benzoato-κO:O'].

作者信息

Fun Hoong-Kun, Balasubramani Kasthuri, Rai Sankappa, Shetty Prakash, Isloor Arun M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):m917-8. doi: 10.1107/S1600536809026385.

DOI:10.1107/S1600536809026385
PMID:21583374
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977228/
Abstract

The asymmetric unit of the title polymeric compound, Li(2)(C(16)H(11)N(2)O(2))(2)(C(16)H(12)N(2)O(2))(2)(CH(3)CH(2)OH)(2), contains two Li(I) ions, two 3-(1-phenyl-1H-pyrazol-3-yl)benzoate ions, two 3-(1-phenyl-1H-pyrazol-3-yl)benzoic acid mol-ecules and two ethanol mol-ecules. In the crystal structure, each of the two Li(I) ions has a distorted tetra-hedral geometry, coordinated by two carboxyl-ate O atoms, one carboxyl O atom and one ethanol O atom. The carboxyl-ate group bridges the Li(I) ions, forming a one-dimensional polymeric chain along [100]. The crystal structure is further stabilized by O-H⋯O and C-H⋯N hydrogen bonding, and π-π inter-actions with centroid-centroid distances in the range 3.6534 (13)-3.8374 (13) Å.

摘要

标题聚合物化合物[Li₂(C₁₆H₁₁N₂O₂)₂(C₁₆H₁₂N₂O₂)₂(CH₃CH₂OH)₂]ₙ的不对称单元包含两个Li(I)离子、两个3-(1-苯基-1H-吡唑-3-基)苯甲酸根离子、两个3-(1-苯基-1H-吡唑-3-基)苯甲酸分子和两个乙醇分子。在晶体结构中，两个Li(I)离子中的每一个都具有扭曲的四面体几何构型，由两个羧酸根O原子、一个羧基O原子和一个乙醇O原子配位。羧酸根基团桥连Li(I)离子，沿[100]方向形成一维聚合物链。晶体结构通过O—H⋯O和C—H⋯N氢键以及质心-质心距离在3.6534 (13)-3.8374 (13) Å范围内的π-π相互作用进一步稳定。

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