Crystal structure and supra-molecular features of bis-{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]acetate}-tri-nitratolanthanum(III).

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-06-24 eCollection Date: 2025-07-01 DOI:10.1107/S2056989025005419

Valeriia Halushchenko, Oleksandr Korovin, Natalya Rusakova, Viktoriya Dyakonenko, Dmytro Khomenko, Rostyslav Lampeka, Serhii Smola

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Abstract

The title lanthanum(III) complex, [La(Et-MPTA)₂(NO₃)₃] {where Et-MPTA is ethyl 2-[1-methyl-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]acetate} or [La(C₂₄H₂₈N₈O₄)(NO₃)₃], crystallizes in the monoclinic space group C2/c (No. 15). The lanthanum atom is twelve-coordinate, bonded to two oxygen atoms from carboxyl-ate groups, four nitro-gen atoms from two pyridinyl-1,2,4-triazole ligands, and six oxygen atoms of three NO₃ ^- anions. The coordination geometry around the lanthanum atom can be described as a distorted icosa-hedron. Supra-molecular features include π-stacking inter-actions between pyridyl and triazole rings and weak inter-molecular N-O⋯C inter-actions, which lead to the formation of layers parallel to the (101) plane.

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双-{乙基2-[1-甲基-3-（吡啶-2-基）- 1h -1,2,4-三唑-5-基]乙酸}-三硝基镧（III）的晶体结构和超分子特征

标题镧（III）配合物[La(Et-MPTA)2(NO3)3]{其中Et-MPTA是2-[1-甲基-3-（吡啶-2-基）- 1h -1,2,4-三唑-5-基]醋酸酯}或[La(C24H28N8O4)(NO3)3]，在单斜空间群C2/c （No. 15）中结晶。镧原子是十二配位的，连着两个羧酸基上的氧原子，连着两个吡啶-1,2,4-三唑配体上的四个氮原子，连着三个NO3 -阴离子上的六个氧原子。镧原子周围的配位几何可以描述为一个扭曲的二十面体。超分子特征包括吡啶环和三唑环之间的π堆积相互作用和弱分子间N-O⋯C相互作用，这些相互作用导致形成平行于（101）平面的层。

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.