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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 Hirshfeld 表面分析

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

作者信息

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

机构信息

National University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 Uzbekistan.

Khorezm Mamun branch of Uzbekistan Academy of Sciences, 1, Markaz St., Khiva, 220900, Uzbekistan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 May 9;81(Pt 6):482-485. doi: 10.1107/S2056989025004049. eCollection 2025 Jun 1.

DOI:10.1107/S2056989025004049
PMID:40487694
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12142408/
Abstract

A coordination complex of cadmium nitrate [Cd(NO)] with 2-amino-benzaxole (2AB; CHNO), namely, tetra-kis-(2-amino-benzoxazole-κ )bis-(nitrato-κ)cadmium(II), [Cd(NO)(2AB)], has been synthesized from ethanol solutions of Cd(NO)·HO and 2AB. The asymmetric unit comprises half a mol-ecule of [Cd(NO)(2AB)], with the Cd atom positioned on a twofold rotation axis. In the completed mol-ecular complex, four 2AB ligands and two nitrate anions each coordinate monodentately to the Cd atom, leading to a distorted octa-hedral coordination environment. The crystal structure of [Cd(NO)(2AB)] exhibits several N-H⋯O inter-actions, resulting in the formation of a layered assembly parallel to (001). Hishfeld surface analysis was used to qu-antify the inter-molecular inter-actions.

摘要

硝酸镉[Cd(NO₃)₂]与2-氨基苯并恶唑(2AB; C₇H₆N₂O)形成的配位化合物,即四-(2-氨基苯并恶唑-κN)双-(硝酸根-κO)镉(II),[Cd(NO₃)₂(2AB)₄],是由Cd(NO₃)₂·4H₂O和2AB的乙醇溶液合成的。不对称单元包含半个[Cd(NO₃)₂(2AB)₄]分子,Cd原子位于二重旋转轴上。在完整的分子配合物中,四个2AB配体和两个硝酸根阴离子均以单齿方式与Cd原子配位,形成扭曲的八面体配位环境。[Cd(NO₃)₂(2AB)₄]的晶体结构表现出若干N-H⋯O相互作用,导致形成平行于(001)的层状聚集体。使用 Hirshfeld 表面分析对分子间相互作用进行了量化。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e9b3/12142408/9bb468571f39/e-81-00482-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e9b3/12142408/cd84bb210ea2/e-81-00482-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e9b3/12142408/c41e6d4b8282/e-81-00482-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e9b3/12142408/9bb468571f39/e-81-00482-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e9b3/12142408/cd84bb210ea2/e-81-00482-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e9b3/12142408/c41e6d4b8282/e-81-00482-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e9b3/12142408/9bb468571f39/e-81-00482-fig3.jpg

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