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（2-氨基-1-甲基苯并咪唑-κ）水-双-（4-氧代戊-2-烯-2-醇根-κ，'）镍（II）乙醇单溶剂合物的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-1-methyl-benzimidazole-κ )aqua-bis-(4-oxopent-2-en-2-olato-κ ,')nickel(II) ethanol monosolvate.

作者信息

Siddikova Kyzlarkhan, Sardor Murodov, Tojiboyev Akmaljon, Kadirova Zukhra, Ashurov Jamshid, Daminova Shahlo

机构信息

Karshi Engineering Economics Institute, Mustakillik Avenue, 225, Karshi 180100, Uzbekistan.

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

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Oct 22;80(Pt 11):1186-1189. doi: 10.1107/S2056989024008958. eCollection 2024 Oct 1.

DOI:10.1107/S2056989024008958
PMID:39712173
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11660480/
Abstract

The mol-ecule of the title compound, [Ni(CHO)(CHN)(HO)]·CHOH, has triclinic () symmetry. This compound is of inter-est for its anti-microbial properties. The asymmetric unit comprises two independent complex mol-ecules, which are linked by N-H⋯O and O-H⋯O hydrogen bonds along [111]. Hirshfeld surface analysis indicates that 71.7% of inter-mol-ecular inter-actions come from H⋯H contacts, 17.7% from C⋯H/H⋯C contacts and 7.6% from O⋯H/H⋯O contacts, with the remaining contribution coming from N⋯H/H⋯N, C⋯N/N⋯C, C⋯C and O⋯O contacts.

摘要

标题化合物[Ni(CHO)(CHN)(HO)]·CHOH的分子具有三斜晶系（）对称性。该化合物因其抗菌性能而备受关注。不对称单元包含两个独立的络合分子，它们通过N-H⋯O和O-H⋯O氢键沿[111]相连。 Hirshfeld表面分析表明，71.7%的分子间相互作用来自H⋯H接触，17.7%来自C⋯H/H⋯C接触，7.6%来自O⋯H/H⋯O接触，其余贡献来自N⋯H/H⋯N、C⋯N/N⋯C、C⋯C和O⋯O接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/0535333db863/e-80-01186-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/8a92ca09054d/e-80-01186-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/69e5c548d793/e-80-01186-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/148e53bc5518/e-80-01186-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/54f4943c8af2/e-80-01186-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/0535333db863/e-80-01186-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/8a92ca09054d/e-80-01186-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/69e5c548d793/e-80-01186-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/148e53bc5518/e-80-01186-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/54f4943c8af2/e-80-01186-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a565/11660480/0535333db863/e-80-01186-fig5.jpg

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