7,8-二溴（二溴代）-3-丁基吡唑并[5,1-][1,2,4]三嗪的合成与晶体结构
Synthesis and crystal structures of 7,8-bromo (dibromo)-3--butylpyrazolo[5,1-][1,2,4]triazines.
作者信息
Ivanov Sergey M, Koltun Denis S
机构信息
Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky Prospect, Moscow, Russian Federation.
出版信息
Struct Chem. 2021;32(4):1553-1562. doi: 10.1007/s11224-021-01768-0. Epub 2021 Mar 29.
UNLABELLED
Single crystal structures in a series of 7-bromo-, 8-bromo-, and 7,8-dibromo-3--butylpyrazolo[5,1-][1,2,4]triazin-4(1)-ones have been investigated by X-ray diffraction. Novel 7-bromo- and 7,8-dibromo-3--butylpyrazolo[5,1-][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.
SUPPLEMENTARY INFORMATION
The online version contains supplementary material available at 10.1007/s11224-021-01768-0.
未标注
通过X射线衍射研究了一系列7-溴-、8-溴-和7,8-二溴-3-丁基吡唑并[5,1-][1,2,4]三嗪-4(1)-酮的单晶结构。通过在酸性介质中用脱水芳构化还原三嗪羰基合成了新型的7-溴-和7,8-二溴-3-丁基吡唑并[5,1-][1,2,4]三嗪，并将它们的XRD结构特征与4-氧代类似物的结构特征进行了比较。考虑了晶体中分子的键长、键角和堆积情况。观察到了一些所研究化合物的非价键相互作用。确定了不同位置溴原子的存在与结构特征之间的相关性。
补充信息
在线版本包含可在10.1007/s11224-021-01768-0获取的补充材料。
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