中文摘要
本論文是我在碩士班期間的研究成果。主要包含兩個部分：第一部份為X光繞射的基本原理和解小分子晶體的基礎理論；在第二部分中，則提供描述個人所解的拾個單晶的X光結構，並探討晶體結構的堆疊情形，和分子之間作用力的影響。
拾個單晶的化合物名稱如下：
1. bis-(2-Azido)-bis(2-((N-2-(methylamino)ethyl)iminomeththyl)pyridine-N,N’,N”)-
bis(perchlorato-O)-di-copper(II)
2. Bis-(2,2'-dipyridylamine)-bis-(azide)nickel(II)
monohydrate
3. Diaquo-dithiocyanato-{1-methyl-2-(p-tolylazo)imidazole}nickel(II)
4. Dithiocyanato-bis-(1-methyl-2-(p-tolylazo)imidazole)manganese(II)
5. (1,10-phenanthroline)-bis- {1-methyl-2-(phenylazo)imidazole }ruthenium(II) diperchlorate
6. Bis-{2-(phenylazo)pyridine}-(1,10-phenanthroline)ruthenium(II)
hexafluorophosphate
7. Dichloro-(S-ethyl-(1-ethyl-2-(phenylazo)imidazole-N,N’,S)-copper(II)
8. Dichloro-[1-(pyridyl-methylene-thio)-2-(O-azophe-nol(ato)benzene)iron(III)
9. 1-benzyl-2-(phenylazo)imidazolium chloride
10. 2,5-Dichloro-3,6-dihydroxy-p-benzoquinone dimethyl ether

Abstract
This thesis is my research results during my master degree study. It includes mainly two parts: it contains the basic principle of the X-ray diffraction and the fundamental theory of determining the crystal structures in my first part. In my second part, it provides the structure determination of ten single crystals. The packing of the crystal structures and the influence of the intermolecular interaction are discussed in the thesis.
The compound names of the ten crystals are as following：
1. bis-(2-Azido)-bis(2-((N-2-(methylamino)ethyl)iminomeththyl)pyridine-N,N’,N”)-
bis(perchlorato-O)-di-copper(II)
2. Bis-(2,2'-dipyridylamine)-bis-(azide)nickel(II)
monohydrate
3. Diaquo-dithiocyanato-{1-methyl-2-(p-tolylazo)imidazole}nickel(II)
4. Dithiocyanato-bis-(1-methyl-2-(p-tolylazo)imidazole)manganese(II)
5. (1,10-phenanthroline)-bis- {1-methyl-2-(phenylazo)imidazole }ruthenium(II) diperchlorate
6. Bis-{2-(phenylazo)pyridine}-(1,10-phenanthroline)ruthenium(II)
hexafluorophosphate
7. Dichloro-(S-ethyl-(1-ethyl-2-(phenylazo)imidazole-N,N’,S)-copper(II)
8. Dichloro-[1-(pyridyl-methylene-thio)-2-(O-azophe-nol(ato)benzene)iron(III)
9. 1-benzyl-2-(phenylazo)imidazolium chloride
10. 2,5-Dichloro-3,6-dihydroxy-p-benzoquinone dimethyl ether

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