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Synthesis and X-ray diffraction data of (4R)-methyl-3-(1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonyl)thiazolidin-4-carboxylate, C14H13ClN4O3S
Powder Diffraction ( IF 0.5 ) Pub Date : 2019-11-06 , DOI: 10.1017/s088571561900085x
Fausto M. Güiza , Arnold R. Romero Bohórquez , J. A. Henao , H. A. Camargo

The new compound (4R)-methyl-3-(1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonyl)thiazolidin-4-carboxylate was synthesized by the 1,3-dipolar cycloaddition reaction between (4R)-methyl-3-propionyl-thiazolidin-4-carboxylate (1) and 4-chlorophenylazide using the click chemistry approach. Molecular characterization was carried out by infrared spectroscopy and mass spectrometry. The X-ray powder diffraction study determined that the title compound crystallized in an orthorhombic system with unit-cell parameters a = 20.876 (2) Å, b = 12.111 (1) Å, and c = 6.288 (9) Å. The volume of the unit cell is V = 1589.7 (2) Å3. All measured diffraction maxima were indexed and are consistent with the P2221 space group (No. 17). No detectable impurities were observed.

中文翻译:

(4R)-methyl-3-(1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonyl)thiazolidin-4-carboxylate, C14H13ClN4O3S 的合成和 X 射线衍射数据

新化合物(4R)-甲基-3-(1-(4-氯苯基)-1H-1,2,3-triazole-4-carbonyl)thiazolidin-4-carboxylate 由 (4) 之间的 1,3-偶极环加成反应合成R)-methyl-3-propionyl-thiazolidin-4-carboxylate (1) 和 4-氯苯叠氮化物使用点击化学方法。通过红外光谱和质谱进行分子表征。X 射线粉末衍射研究确定标题化合物在具有晶胞参数的正交晶系中结晶一种= 20.876 (2) 埃,b= 12.111 (1) Å,和C= 6.288 (9) 埃。晶胞的体积为= 1589.7 (2) Å3. 所有测量的衍射最大值都被索引并与2221空间群(第 17 号)。没有观察到可检测的杂质。
更新日期:2019-11-06
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