Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of cadmium nitrate with 2-aminobenzoxazole

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-06-01 DOI:10.1107/S2056989025004049

Surayyo Razzoqova , Yodgor Ruzimov , Akobir Toshov , Batirbay Torambetov , Aziz Ibragimov , Jamshid Ashurov , Shakhnoza Kadirova

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引用次数: 0

Abstract

The Cd^II atom in the title complex [Cd(NO₃)₂(2AB)₄] (2AB is 2-aminobenzaxole; C₇H₆N₂O) has a distorted octahedral coordination environment. In the crystal structure, several N—H⋯O interactions lead to the formation of layers parallel to (001).

A coordination complex of cadmium nitrate [Cd(NO₃)₂] with 2-aminobenzaxole (2AB; C₇H₆N₂O), namely, tetrakis(2-aminobenzoxazole-κN¹)bis(nitrato-κO)cadmium(II), [Cd(NO₃)₂(2AB)₄], has been synthesized from ethanol solutions of Cd(NO₃)₂·H₂O and 2AB. The asymmetric unit comprises half a molecule of [Cd(NO₃)₂(2AB)₄], with the Cd^II atom positioned on a twofold rotation axis. In the completed molecular complex, four 2AB ligands and two nitrate anions each coordinate monodentately to the Cd^II atom, leading to a distorted octahedral coordination environment. The crystal structure of [Cd(NO₃)₂(2AB)₄] exhibits several N—H⋯O interactions, resulting in the formation of a layered assembly parallel to (001). Hishfeld surface analysis was used to quantify the intermolecular interactions.

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硝酸镉与2-氨基-苯并恶唑配位化合物的合成、晶体结构及表面分析。

硝酸镉[Cd(NO3)2]与2-氨基苯甲唑（2AB）的配位配合物以Cd(NO3)2·H2O和2AB为溶剂，合成了C7H6N2O，即四叔基-（2-氨基苯并恶唑-κ n 1）二叔基-（硝基-κ o）镉（II） [Cd(NO3)2(2AB)4]。不对称单元由半分子[Cd(NO3)2(2AB)4]组成，CdII原子位于双旋转轴上。在完成的分子配合物中，4个2AB配体和2个硝酸盐阴离子分别与CdII原子单齿配位，形成扭曲的八面体配位环境。[Cd(NO3)2(2AB)4]的晶体结构表现出几种N-H⋯O相互作用，导致形成平行于（001）的层状组装体。采用希什菲尔德表面分析法定量分析分子间相互作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.

Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of cadmium nitrate with 2-amino­benzoxazole

Abstract

Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of cadmium nitrate with 2-aminobenzoxazole