Single crystal structures in a series of 7-bromo-, 8-bromo-, and 7,8-dibromo-3-tert-butylpyrazolo[5,1-c][1,2,4]triazin-4(1H)-ones have been investigated by X-ray diffraction. Novel 7-bromo- and 7,8-dibromo-3-tert-butylpyrazolo[5,1-c][1,2,4]triazines were synthesized by reduction of triazine carbonyl with dehydrative aromatization in acidic media, and their XRD structural features were compared with that of the 4-oxo analogs. The lengths and bond angles and the packing of molecules in crystals have been considered. Non-valence interactions for some of the studied compounds were observed. Correlations between the presence of bromine atoms at different positions and structural features are determined.

Graphical abstract

中文翻译：

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7,8-溴（二溴）-3-叔丁基吡唑并[5,1-c][1,2,4]三嗪的合成及晶体结构

7-溴-、8-溴-和7,8-二溴-3-叔丁基吡唑并[5,1- c ][1,2,4]triazin-4(1 H )系列中的单晶结构- 已通过 X 射线衍射进行了研究。通过在酸性介质中脱水芳构化还原羰基三嗪，合成了新型 7-溴和 7,8-二溴-3-叔丁基吡唑并[5,1- c ][1,2,4]三嗪，及其 XRD 结构特征与 4-oxo 类似物的特征进行了比较。已经考虑了晶体中分子的长度和键角以及堆积。观察到一些研究化合物的非价相互作用。确定了溴原子在不同位置的存在与结构特征之间的相关性。

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