-3,5-Di-chloro-4-hy-droxy-phen-yl) 乙胺基的使用情况
Rao M Uppu1, Frank R Fronczek2
1Department of Environmental Toxicology Southern University and A&M College,Baton Rouge Louisiana 70813 USA.
IUCrData
|February 9, 2026
概括
这项研究详细介绍了C8H7Cl2NO2的晶体结构,揭示了两个平面分子和一个非平面分子. 这些分子通过各种键形成复杂的3D网络,影响晶体包装.
科学领域:
- 晶体学 晶体学是指结晶学.
- 化学物理 化学物理
- 材料科学 材料科学 材料科学
背景情况:
- 了解分子构造和分子间相互作用对于预测材料性质至关重要.
- 晶体结构分析为化学化合物的固态行为提供了基本的见解.
研究的目的:
- 为了阐明标题化合物的晶体结构,C8H7Cl2NO2.
- 为了研究晶格内部的分子构造和结合模式.
- 为了描述由分子间相互作用形成的结果三维网络.
主要方法:
- 使用单晶X射线衍射来确定晶体结构.
- 对键长度,键角和二面角的分析是分子几何学的特征.
- 识别和分析了分子间相互作用,特别是键.
主要成果:
- 该化合物在三临床空间组P1中结晶,在不对称单位中有三个分子.
- 两个分子几乎是平面的,而第三个分子表现出显著的非平面性 (二面角为67.56°).
- 一个复杂的三维网络通过各种涉及O-H,N-H和碳基的分子间键以及Cl替代物而形成.
结论:
- C8H7Cl2NO2的晶体结构以明显的分子构造和广泛的结合为特征.
- 平面和非平面分子的相互作用,以及二叉和分子间的键,决定了强大的3D网络的形成.
- 这种详细的结构分析为了解这种化合物的物理和化学特性提供了基础.
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