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三水合三(哌嗪二铵)双[三(吡啶-2,6-二羧酸根)钕(III)]

Tris(piperazinediium) bis-[tris-(pyridine-2,6-dicarboxyl-ato)neodymate(III)] 15.33-hydrate.

作者信息

Derikvand Zohreh, Aghabozorg Hossein, Nemati Andya, Ghadermazi Mohammad, Attar Gharamaleki Jafar

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 16;64(Pt 2):m350-1. doi: 10.1107/S1600536807068328.

Abstract

The title compound, (C(4)H(12)N(2))(3)Nd(C(7)H(3)NO(4))(3)·15.33H(2)O or (pipzH(2))(3)Nd(pydc)(3)·15.33H(2)O (in which pipz is piperazine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of NdCl(3)·6H(2)O with the proton-transfer compound (pipzH(2))(pydc) in aqueous solution. The nine donor atoms of the three pydc(2-) ligands form a distorted tricapped trigonal-prismatic arrangement around the Nd(III) center. Considerable C-O⋯π stacking inter-actions between CO groups of carboxyl-ate fragments and aromatic rings of pydc(2-) with distances of 3.135 (5)-3.255 (5) Å are observed. In the crystal structure, a wide range of hydrogen-bonding [of the types O-H⋯O, N-H⋯O and C-H⋯O, with D⋯A distances ranging from 2.608 (10) to 3.278 (7) Å], ion-pairing and C-O⋯π stacking interactions connect the various components into a supra-molecular structure. There is a high degree of solvent disorder in the structure; the occupancies of five water molecules refined to 0.6, 0.5, 0.4, 0.25 and 0.25.

摘要

标题化合物(C(4)H(12)N(2))(3)Nd(C(7)H(3)NO(4))(3)·15.33H(2)O 或 (pipzH(2))(3)Nd(pydc)(3)·15.33H(2)O(其中 pipz 为哌嗪,pydcH(2) 为吡啶 -2,6 - 二羧酸)是通过 NdCl(3)·6H(2)O 与质子转移化合物 (pipzH(2))(pydc) 在水溶液中反应合成的。三个 pydc(2-) 配体的九个供体原子在 Nd(III) 中心周围形成扭曲的三帽三角棱柱排列。观察到羧酸根片段的 CO 基团与 pydc(2-) 的芳环之间存在显著的 C - O⋯π 堆积相互作用,距离为 3.135 (5) - 3.255 (5) Å。在晶体结构中,多种类型的氢键 [O - H⋯O、N - H⋯O 和 C - H⋯O,D⋯A 距离范围为 2.608 (10) 至 3.278 (7) Å]、离子对和 C - O⋯π 堆积相互作用将各种组分连接成超分子结构。该结构存在高度的溶剂无序;五个水分子的占有率精修后为 0.6、0.5、0.4、0.25 和 0.25。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a212/2960278/c60008f81d3b/e-64-0m350-fig1.jpg

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