Ethyl 5-Formyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and DFT Calculation by Nazariy T. Pokhodylo Yuriy I. Slyvka Evgeny A. Goreshnik & Mykola D. Obushak

Author:Nazariy T. Pokhodylo, Yuriy I. Slyvka, Evgeny A. Goreshnik & Mykola D. Obushak
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Tags: For the first time, 5-formyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate was synthesized via a two-step scheme. The molecular structure of the compound was determined by a single-crystal X-ray diffraction analysis. The Hirshfeld surface analysis was used to study various intermolecular interactions. The crystalline structure is marked by the presence of three types of -interactions (n*, lp, and ) between the -C(H)=O group and triazole rings. The compound is a versatile polyfunctional building block for construction of annulated 1,2,3-triazoles., 5-formyl-1-(pyridin-3-yl)-1H-1, 2, 3-triazole-4-carboxylate; 1, 2, 3-triazoles; ortho-formyl acid; crystal structure; hydrogen bond; intermolecular interaction


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