(E)-2-氰- n '-（3,4,5-三甲基-氧基苯二胺）乙酰肼的晶体结构和Hirshfeld表面分析。

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-06-01 DOI:10.1107/S2056989025003913

Subramani Uma Maheswari , Srinivasan Senthilkumar , Sivashanmugam Selvanayagam

引用次数: 0

摘要

在标题化合物C13H15N3O4中，2-氰- n′-甲基-异乙酰肼部分与三甲基-氧酚环形成13.8(1)°的二面角。观察到分子间的N-H⋯O和C-H⋯O氢键。分子间相互作用被quantified并使用Hirshfeld表面分析进行分析，揭示了H⋯H相互作用对晶体堆积的贡献最大（38.3%）。

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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Crystal structure and Hirshfeld surface analysis of (E)-2-cyano-N′-(3,4,5-trimethoxybenzylidene)acetohydrazide

In the title compound, the crystal packing features strong N—H⋯O hydrogen bonds, which form C(4) chain-motifs.

In the title compound, C₁₃H₁₅N₃O₄, the 2-cyano-N′-methylideneacetohydrazide moiety and the trimethoxy phenol ring form a dihedral angle of 13.8 (1)°. Intermolecular N—H⋯O and C—H⋯O hydrogen bonds are observed. The intermolecular interactions were quantified and analysed using Hirshfeld surface analysis, revealing that H⋯H interactions contribute most to the crystal packing (38.3%).

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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.