物理化学学报 >> 1994, Vol. 10 >> Issue (05): 413-417.doi: 10.3866/PKU.WHXB19940508

研究论文 上一篇    下一篇

软X-射线分光晶体马来酸氢十八酯的晶体结构

王哲民, 关铁堂, 庄鸿辉   

  1. 福州大学化学系，福州 350002；中国科学院福建物质结构研究所，福州 350002
  • 收稿日期:1992-11-12 修回日期:1993-04-29 发布日期:1994-05-15
  • 通讯作者: 王哲民

Crystal Structure of Soft X-Ray Analyzer Crystal——Octadecyl Hydrogen Maleate(OHM, C22H40O4)

Wang Zhe-Min, Guan Tie-Tang, Zhuang Hong-Hui   

  1. Department of Chemistry, Fuzhou University, Fuzhou 350002; Fujian Insitute of Research on the Structure of Matter, Academia Sinica, Fuzhou 350002
  • Received:1992-11-12 Revised:1993-04-29 Published:1994-05-15
  • Contact: Wang Zhe-Min

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摘要：

测定了标题化合物C_(22)H_(40)O_4的晶体结构，属空间群Pī，a=0.6833(2)，b=3.1662(5)，c=0.5392(1) nm，α＝90.63(2)．β=102.61(2)，γ＝89.03(2)°，Z=2偏离因子R=0.0465，晶体中分子通过氢键形成二聚体，二聚体在晶体中排列成层，进而这些层堆垛成晶体结构，层内二聚体之间相互作用比层之间的相互作用强．分子中的十八烷基的碳原子基本共面．其碳链呈锯齿状伸展，初步解释了晶体生长过程中的一些现象．

关键词: 马来酸氢十八酯, 晶体结构, 软X-射线分光晶体

Abstract:

The crystal structure of octadecyl hydrogen maleate was determined by Xray diffeaction method. C_(22)H_(40)O_4, Mr=368.56, triclinic, space group Pī, a=0.6833 (2), b=3.1662 (5), c=0.5392 (1) nm, α=90.63 (2), β=102.61 (2), γ=89.03 (2)°, V=1.1383 (5) nm. Z=2, Dc.=1.08 g·cm~(-3), F(000)=408, λ(Mo K_α) =0.071069 nm, μ(Mo K_α)=0.67 cm~(-1), final R=0.0465 for 1332 observations with I ≥3σ(I) and 240 variables. In the crystal OHM molecules form dimers via intermolecular hydrogen bonding between carboxyl groups. The long hydrocarbon chain of octadecyl is zigzag-like and the carbon atoms of this chain are basically coplanar. These dimers arrange along (101) plane to form a layer, then these layers stack along [010] to give the crystal structure. The van der Waals interaction intralayer is evidently larger than interlayer. On the base of the crystal structure some phenomena in the crystal growth of OHM were illustrated.

Key words: Octadecyl hydrogen maleate, Crystal structure, Soft X-ray analyzer crystal