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Synthesis, crystal and molecular structure, Hirshfeld surface analysis of diethyl 2-(4-methylbenzylidene)malonate
Chemical Data Collections Pub Date : 2016-05-01 , DOI: 10.1016/j.cdc.2016.06.003
Dileep Kumar Achutha , Prabhuswamy Mallappa , Lokanath Neratur Krishnappagowda , Ajay Kumar Kariyappa

Abstract Diethyl 2-(4-methylbenzylidene)malonate was synthesized by Knoevenagel condensation reaction of 4-methylbenzaldehyde and diethyl malonate in the presence of catalytic amount of piperidine and trifluoroacetic acid in benzene under reflux conditions. The product obtained was characterized by 1H NMR, Mass spectroscopy and by X-ray diffraction studies. The title compound C15H18O4 crystallizes in the monoclinic crystal system with space group C2/c and unit cell parameters, a = 18.210(4) A, b = 8.316(2) A, c = 20.130(4) A, β = 109.0(2)° and Z = 8. The crystal and molecular structure of the title compound is stabilized by C H ···O hydrogen bond interactions.

中文翻译:

2-(4-甲基亚苄基)丙二酸二乙酯的合成、晶体和分子结构、Hirshfeld表面分析

摘要 4-甲基苯甲醛与丙二酸二乙酯在催化量的哌啶和三氟乙酸存在下,在苯中回流条件下,通过Knoevenagel缩合反应合成2-(4-甲基亚苄基)丙二酸二乙酯。所得产物通过1H NMR、质谱和X-射线衍射研究表征。标题化合物 C15H18O4 在单斜晶系中结晶,空间群为 C2/c,晶胞参数为 a = 18.210(4) A, b = 8.316(2) A, c = 20.130(4) A, β = 109.0(2) )° 和 Z = 8。标题化合物的晶体和分子结构通过 CH ···O 氢键相互作用稳定。
更新日期:2016-05-01
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