Hirshfeld surface analysis

Diethyl 2,2'-(1H-1,2,4-Triazole-3,5-diyl)diacetate: Synthesis Strategies, Chemical Behavior, Crystal Structure and Hirshfeld Surface Analysis

1,2,4-Triazolyl-3,5-diacetic acid ethyl ester was synthesized by condensation of hydrazine hydrate and N-acyl ethyl 3-ethoxy-3-iminopropanoate. Other methods for the synthesis are considered and their comparative analysis is carried out. The molecular structure of the title compound was established by X-ray analysis. Hirshfeld surface analysis was performed to investigate intermolecular interactions.

Investigation of Hybrid Organic-Inorganic Dihydrogen Phosphate by Hirshfeld Surface Analysis and Quantum Chemical Analysis

This present work undertakes the study of organic-inorganic hybrid material, which has been obtained successfully by an acid-base reaction at room tem-perature and structurally studied by the single crystal X-ray diffraction method. N-(Dicyclopropylmethylamino)-4,5-dihydro-1,3-oxazolium dihydrogenphosphate [10-CN@DP] crystallizes in the triclinic system with the space group P-1.