1-(4-溴苯基)-5-(2,5-二甲基-1H-吡咯-1-基)-3-甲基-1H-吡唑的晶体学、光谱和热学研究。

IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY
Erika Moreno-Suárez, Rafael Avila-Acosta, Karen Sánchez-Ramírez, Juan Carlos Castillo, Mario A Macías
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引用次数: 0

摘要

在温和的反应条件下,通过柠檬酸催化乙酰丙酮与1-(4-溴苯基)-3-甲基-1H-吡唑-5-胺的Paal-Knorr反应合成了新的吡咯吡唑衍生物C16H16BrN3。该合成方案值得注意的是,它利用了化学计量量的反应物、生态友好的溶剂和成本效益高、无毒且可生物降解的有机催化剂。通过光谱、热学和X射线晶体学分析,对分子结构有了全面的了解。晶体结构的特点是弱相互作用,其中只有C-H。。。π连接有助于氢键接触。超分子组装是由分散力控制的。然而,正如在TGA-DSC(热重分析-差示扫描量热法)研究中观察到的那样,能量框架表明这些力在三维作用,提供了足够的稳定性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Crystallographic, spectroscopic and thermal studies of 1-(4-bromophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1H-pyrazole.

Crystallographic, spectroscopic and thermal studies of 1-(4-bromophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1H-pyrazole.
The new title pyrrole-pyrazole derivative, C16H16BrN3, was synthesized through a citric acid-catalyzed Paal-Knorr reaction between acetonylacetone and 1-(4-bromophenyl)-3-methyl-1H-pyrazol-5-amine under mild reaction conditions. This synthetic protocol is noteworthy for its utilization of stoichiometric amounts of the reactants, an ecofriendly solvent and a cost-effective, non-toxic and biodegradable organocatalyst. A comprehensive understanding of the molecular structure was gained through spectroscopic, thermal and X-ray crystallographic analyses. The crystal structure is characterized by weak interactions, where only C-H...π connections contribute to the hydrogen-bond contacts. The supramolecular assembly is controlled by dispersion forces. However, the energy frameworks demonstrate that these forces act in three dimensions, providing enough stability, as observed in TGA-DSC (thermogravimetric analysis-differential scanning calorimetry) studies.
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来源期刊
Acta Crystallographica Section C Structural Chemistry
Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY
CiteScore
1.60
自引率
12.50%
发文量
148
期刊介绍: Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.
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