Ethyl 4-(4-(dimethylamino)phenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (5) was synthesized according to our previously reported procedure in a 92% yield and crystallized by a slow evaporation technique. This report describes the in-depth structural analysis thereof. The structural characterization and purity of the title compound were determined by UV-vis, FT-IR, ¹H NMR, and ¹³C NMR spectroscopy, high-resolution mass spectrometry (HRMS), thermogravimetric analysis (TG/DTG), and its 3D-structure was confirmed by single-crystal X-ray diffraction. The synthesized title molecule crystallized in the triclinic space group P-1, Z = 2. In the crystal packing, the cohesion among the different molecules is assured by one C–H···O hydrogen bond interaction. Hirshfeld surface analysis indicated that H···H bond interactions are the primary contributors to the intermolecular stabilization in the crystal.

4-(4-(二甲基氨基)苯基)-3,6-二甲基-1-苯基-1 H-吡唑并[3,4- b ]吡啶-5-羧酸乙酯( 5 )是根据我们之前报道的方法合成的产率 92%，通过慢速蒸发技术结晶。本报告对其进行了深入的结构分析。标题化合物的结构表征和纯度通过 UV-vis、FT-IR、¹ H NMR 和¹³ C NMR 光谱、高分辨率质谱 (HRMS)、热重分析 (TG/DTG) 及其 3D 测定-结构通过单晶X射线衍射证实。合成的标题分子在三斜空间群 P-1, Z中结晶 = 2.在晶体堆积中，不同分子之间的内聚力由一个C-H···O氢键相互作用来保证。Hirshfeld表面分析表明H···H键相互作用是晶体中分子间稳定的主要贡献者。