咪唑[1,2-a]吡啶-3-碳腈与硝基取代苯甲酸和苯酚共晶的合成及晶体结构

IF 0.9 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2025-09-01 Epub Date: 2025-08-21 DOI:10.1107/S2053229625006965

Honghong Lan, Yanzi Sun, Shihan Sun, Weizhou Wang, Shaobin Miao, Yan Zhou

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引用次数: 0

摘要

得到了咪唑[1,2-a]吡啶-3-碳腈（IPC）与4-硝基苯甲酸（4-NBA）和4-硝基苯酚（4-NP）的两个1:1共晶，即咪唑[1,2-a]吡啶-3-碳腈-4-硝基苯甲酸（1/1），C8H5N3·C7H5NO4或（IPC）·（4-NBA） (I)和咪唑[1,2-a]吡啶-3-碳腈-4-硝基苯酚（1/1），C8H5N3·C6H5NO3或（IPC）·（4-NP）（II），并通过单晶x射线衍射测定了它们的晶体结构。I和II的分子都由O-H连接…N,碳氢键……O和碳氢键…N氢键形成二维平面，通过C-H键进一步连接成三维框架。π相互作用(I)和π-π相互作用（II）。

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Synthesis and crystal structures of two cocrystals of imidazo[1,2-a]pyridine-3-carbonitrile with nitro-substituted benzoic acid and phenol.

Two 1:1 cocrystals of imidazo[1,2-a]pyridine-3-carbonitrile (IPC) with 4-nitrobenzoic acid (4-NBA) and 4-nitrophenol (4-NP), namely, imidazo[1,2-a]pyridine-3-carbonitrile-4-nitrobenzoic acid (1/1), C₈H₅N₃·C₇H₅NO₄ or (IPC)·(4-NBA) (I), and imidazo[1,2-a]pyridine-3-carbonitrile-4-nitrophenol (1/1), C₈H₅N₃·C₆H₅NO₃ or (IPC)·(4-NP) (II), were obtained and their crystal structures determined by single-crystal X-ray diffraction. Molecules of I and II are both linked by O-H...N, C-H...O and C-H...N hydrogen bonds to form two-dimensional planes, which are further connected into three-dimensional frameworks by C-H...π interactions (in I) and π-π interactions (in II).

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来源期刊

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.