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双[三（3,5-二甲基-1H-吡唑-1-基-κN(2)）甲基]三氟甲磺酸钠

Bis[tris-(3,5-dimethyl-1H-pyrazol-1-yl-κN(2))meth-yl]sodium trifluoro-methane-sulfonate.

作者信息

Lyubartseva Ganna, Parkin Sean, Mallik Uma Prasad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m973. doi: 10.1107/S1600536812028413. Epub 2012 Jun 30.

DOI:10.1107/S1600536812028413
PMID:22807792
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393224/
Abstract

In the title salt, [Na(C(16)H(22)N(6))(2)]CF(3)SO(3), the Na(+) cation is coordinated by six N atoms from two tridentate tris-(3,5-dimethyl-pyrazol-1-yl)methane ligands in a distorted octa-hedral geometry. The Na-N distances range from 2.427 (3) to 2.507 (3) Å, intra-ligand N-Na-N angles range from 74.71 (8) to 79.31 (9)°, and adjacent inter-ligand N-Na-N angles range between 100.42 (9) and 104.97 (9)°. The structure is twinned by inversion [occupancy factors = 0.50 (9)] and the trifluoro-methane-sulfonate anion is disordered, with two end-over-end orientations of unequal occupancy [0.781 (3) and 0.219 (3)].

摘要

在标题盐[Na(C₁₆H₂₂N₆)₂]CF₃SO₃中，Na⁺阳离子由来自两个三齿三-(3,5-二甲基-吡唑-1-基)甲烷配体的六个N原子以扭曲的八面体几何构型配位。Na-N距离范围为2.427 (3)至2.507 (3) Å，配体内N-Na-N角范围为74.71 (8)至79.31 (9)°，相邻配体间N-Na-N角范围在100.42 (9)和104.97 (9)°之间。该结构通过倒反孪生[占有率因子 = 0.50 (9)]，且三氟甲磺酸根阴离子无序，具有两个占有率不等的首尾相连取向[0.781 (3)和0.219 (3)]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3ae/3393224/c26605e5b794/e-68-0m973-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3ae/3393224/c26605e5b794/e-68-0m973-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3ae/3393224/c26605e5b794/e-68-0m973-fig1.jpg

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