（3aRS,4RS,10SR,10aSR）-2-（3,5-二甲基苯基）-4-羟基-10-甲基-1-氧-2,3,3a,4,10,10 - a-六氢- 1h -[1]苯并呋喃[2,3-f]异吲哚-10-碳水化合物-氧-二甲基甲酰胺单溶剂的晶体结构和Hirshfeld表面分析。

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-09-01 DOI:10.1107/S2056989025006814

Elizaveta D. Yakovleva , Victoria I. Salakhova , Victor N. Khrustalev , Roya Z. Nazarova , Khudayar I. Hasanov , Tahir A. Javadzade , Mehmet Akkurt , Gizachew Mulugeta Manahelohe

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引用次数: 0

摘要

标题化合物C24H23NO5·C3H7NO的分子构象由分子内C-H⋯O O- h⋯O氢键巩固，形成S(6)环基序。在晶体中，分子通过C-H⋯O氢键连接，形成平行于（101）平面的层。此外，分子通过C-H⋯π相互作用形成平行于（102）平面的层。Hirshfeld表面分析强调的重要分子间相互作用是H⋯H (54.7%), O⋯H/H⋯O（23.0%）和C⋯H/H⋯C（19.9%）接触。

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 (3aRS,4RS,10SR,10aSR)-2-(3,5-dimethylphenyl)-4-hydroxy-10-methyl-1-oxo-2,3,3a,4,10,10a-hexahydro-1H-[1]benzofuro[2,3-f]isoindole-10-carboxylic acid dimethylformamide monosolvate

The molecular conformation of the title compound, C₂₄H₂₃NO₅·C₃H₇NO, is consolidated by intramolecular C—H⋯O O—H⋯O hydrogen bonds, forming an S(6) ring motif. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Additionally, C—H⋯π interactions lead to the formation of layers parallel to the (102) plane.

The molecular conformation of the title compound, C₂₄H₂₃NO₅·C₃H₇NO, is consolidated by intramolecular C—H⋯O O—H⋯O hydrogen bonds, forming an S(6) ring motif. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Furthermore, the molecules form layers parallel to the (102) plane by C—H⋯π interactions. Important intermolecular interactions highlighted by Hirshfeld surface analysis are H⋯H (54.7%), O⋯H/H⋯O (23.0%), and C⋯H/H⋯C (19.9%) contacts.

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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.