一种新1H-1,2,3-三唑-4-甲酰胺化合物的合成、晶体结构和氢键研究  

[HJ47x]Study on Synthesis,Crystal Structure,H-bond of a New 1 H-1,2,3-triazole-4-carboxamide Compound

作　　者：董泓汝 DONG Hong-ru(School of Chemical Engineering,Lanzhou University of Arts and Science,Lanzhou 730000,China)

机构地区：[1]兰州文理学院化工学院,甘肃兰州730000

出　　处：《兰州文理学院学报（自然科学版）》2024年第2期88-94,共7页Journal of Lanzhou University of Arts and Science(Natural Sciences)

摘　　要：合成了一种新的5-甲基-N,1-(二-对甲苯基)-1H-1,2,3-三唑-4-甲酰胺化合物并研究了晶体结构和氢键构成.通过元素分析、核磁共振、质谱、红外光谱对目标化合物进行了表征.化合物的化学式为C_(18)H_(18)N_(4)O,Mr=306.36,晶体属于单斜晶系P21/c空间群中,其晶胞参数为a=1.03251(3)nm,b=0.74042(2)nm,c=2.11902(6)nm,α=90°,β=99.1250(10)(°),γ=90°,V=1.59947(8)nm^(3),Dx=1.272 g5cm^(-3),Z=4.最终R值为0.0429.对目标化合物的芳香体系和氢键体系进行了讨论,并展示了分子晶体在不同平面方向的密堆积.The synthesis,crystal structure,H-bond of new 5-methyl-N,1-(di-p-tolyl)-1 H-1,2,3-triazole-4-carboxamide were reported in this paper.The yielded product was confirmed by elemental analyses,NMR,MS,IR spectra.The chemical formula was C_(18)H_(18)N_(4)O,M r=306.36,crystallizes in the monoclinic space group P 21/c with unit cell parameters a=1.03251(3)nm,b=0.74042(2)nm,c=2.11902(6)nm,α=90°,β=99.1250(10)(°),γ=90°,V=1.59947(8)nm^(3),D x=1.272 g·cm^(-3),Z=4.The final R was 0.0429.The aromatic system and hydrogen bond system of the target compounds were discussed.The dense packing of molecules in different planar directions in the crystal was showed.

关 键 词：晶体结构 氢键 合成 1H-1 2 3-三唑-4-酰胺 各向异性 

分 类 号：O626[理学—有机化学]