Two bis(imidazole) derivatives, 1,4-di(1H-imidazol-1-yl) butane dihydrate (DImB·2H₂O) and 1,4-di(1H-2-methylimidazol-1-yl) butane tetrahydrate (DMImB·4H₂O were synthesized. The crystallization was performed from an aqueous ethanol by slow evaporation technique. X-ray crystallography was used to confirm the molecular structures of both crystals. The results from crystal structure analysis displayed that DImB·2H₂O was crystallized in the orthorhombic crystal system and Pbca space group with a = 14.7805(4) Å, b = 5.22600(10) Å, and c = 15.6110(4) Å. The molecule lies in the center of inversion, making the asymmetric unit consist of half of the parent molecule with one unit of the water molecule, whereas DMImB·4H₂O displayed the triclinic crystal system and R-3 space group with a = 21.526(3) Å, b = 21.526(3) Å, and c = 9.3333(12) Å. The molecule lies on a center of inversion, making the asymmetric molecules consist of half of the parent molecule with two units of the water molecules. The effect of replacing hydrogen atoms at C² of two imidazole rings with the methyl groups on spectroscopic properties was investigated using FTIR, MS, ¹H, and ¹³C NMR. The infrared spectrum demonstrated the presence of water molecules in DMImB·4H₂O, which showed a more intense O‒H group peak than DImB·2H₂O. The effect of methyl groups was studied on the chemical shifts, multiplicity, and coupling constants of hydrogen atoms, and carbon chemical shifts of imidazole rings. Mass spectra of both compounds showed [M+Na]⁺ and [2M+Na]⁺ in positive ion mode (ESI+). In addition, the thermal phase transitions and thermal stability of the bis(imidazole) derivatives were studied using the DSC and TGA/DTG. The crystalline structures of DImB and DMImB recorded and the methyl effect was investigated on the size of molecules, arrangement of molecules in the crystal lattice, lattice planes, solvent void, length, angle, and torsion.

两种双（咪唑）衍生物，1,4-二（1H-咪唑-1-基）丁烷二水合物（DImB·2H ₂ O）和1,4-二（1H-2-甲基咪唑-1-基）丁烷四水合物（合成了DMImB·4H ₂ O，采用慢速蒸发技术从乙醇水溶液中结晶，X射线晶体学证实了两种晶体的分子结构，晶体结构分析结果表明DImB·2H ₂ O是在正交晶系和Pbca空间群中结晶， a  = 14.7805(4) Å, b  = 5.22600(10) Å, 和c = 15.6110(4) 埃。分子处于反转中心，使得不对称单元由一半母体分子和一个水分子组成，而DMImB·4H ₂ O显示出三斜晶系和R-3空间群，a  = 21.526( 3) Å, b  = 21.526(3) Å, 和c  = 9.3333(12) Å。该分子位于反转中心，使不对称分子由一半母体分子和两个水分子单元组成。^{使用 FTIR、MS、 1} H 和¹³研究了用甲基取代两个咪唑环的C ²上的氢原子对光谱性质的影响C核磁共振。红外光谱表明DMImB·4H ₂ O中存在水分子，其O-H基峰比DImB·2H ₂ O强。研究了甲基对化学位移、多重性和耦合常数的影响氢原子和咪唑环的碳化学位移。两种化合物的质谱显示 [M+Na] ⁺和 [2M+Na] ⁺正离子模式 (ESI+)。此外，使用DSC和TGA/DTG研究了双（咪唑）衍生物的热相变和热稳定性。记录了DImB和DMImB的晶体结构，并研究了甲基对分子大小、晶格中分子排列、晶格平面、溶剂空隙、长度、角度和扭转的影响。