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4-（3,5-二甲基-1,7-二苯基-1,7-二氢-二吡唑并-[3,4-:4',3'-]吡啶-4-基）苯酚二甲亚砜二溶剂化物的晶体结构

Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-di-hydro-dipyrazolo-[3,4-:4',3'-]pyridin-4-yl)phenol dimethyl sulfoxide disolvate.

作者信息

N'gaza N'gandi, Jeanneau Erwann, Marestin Catherine, Mercier Regis

机构信息

Universite Claude Bernard Lyon1 Université Jean Monnet CNRS UMR 5223 Ingénierie des Matériaux Polymères F69 621 Cédex France.

Centre de Diffractométrie Henrin Longchambon Universite Claude Bernard Lyon1 69100 Villeurbanne France.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Jul 23;81(Pt 8):711-713. doi: 10.1107/S2056989025006152. eCollection 2025 Aug 1.

DOI:10.1107/S2056989025006152
PMID:40777532
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12326489/
Abstract

A new bis-pyrazolyl-pyridine-(BPP)-containing derivative, namely, 4-(3,5-di-meth-yl-1,7-diphenyl-1,7-di-hydro-dipyrazolo-[3,4-:4',3'-]pyridin-4-yl)phenol (), CHNO·2CHOS, has been synthesized by a Hantzsch multicomponent reaction using acetic acid (AcOH) as solvent and copper(II) acetate monohydrate [Cu(OAc)·HO] as mild oxidant. The structure of the compound was fully characterized by single-crystal X-ray diffraction. The crystallographic study shows that the mol-ecule crystallizes in the triclinic system with space group 1, with one mol-ecule per asymmetric unit. Whereas the phenolic substituent in the position of the pyridine group is highly twisted from the planar bis-pyrazolo-pyridine core [56.19 (4)°], the two phenyl rings present on the nitro-gen atoms are only slightly distorted [11.77 (5) and 29.17 (5)°]. The crystal structure is consolidated by inter-molecular C-H⋯O hydrogen bonds and π-π stacking inter-actions.

摘要

一种新的含双吡唑基吡啶（BPP）的衍生物，即4-(3,5-二甲基-1,7-二苯基-1,7-二氢-双吡唑并-[3,4-:4',3'-]吡啶-4-基)苯酚（ ），CHNO·2CHOS，已通过以乙酸（AcOH）为溶剂、乙酸铜（II）一水合物[Cu(OAc)·HO]为温和氧化剂的汉茨希多组分反应合成。该化合物的结构通过单晶X射线衍射进行了全面表征。晶体学研究表明，该分子以三斜晶系结晶，空间群为1，每个不对称单元中有一个分子。吡啶基团 位置的酚羟基取代基与平面双吡唑并吡啶核心高度扭曲[56.19 (4)°]，而氮原子上的两个苯环仅略有扭曲[11.77 (5) 和29.17 (5)°]。晶体结构通过分子间C-H⋯O氢键和π-π堆积相互作用得以巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f054/12326489/5c9707a5a2b0/e-81-00711-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f054/12326489/c678466b930e/e-81-00711-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f054/12326489/5c9707a5a2b0/e-81-00711-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f054/12326489/c678466b930e/e-81-00711-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f054/12326489/5c9707a5a2b0/e-81-00711-fig2.jpg

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本文引用的文献

1
The Cambridge Structural Database.剑桥结构数据库。
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1.
2
Novel dipyrazolopyridine derivatives as deep blue emitters for polymer based organic light emitting diodes.新型二吡唑吡啶衍生物作为聚合物基有机发光二极管的深蓝色发光体。
Spectrochim Acta A Mol Biomol Spectrosc. 2012 Sep;95:610-3. doi: 10.1016/j.saa.2012.04.058. Epub 2012 Apr 23.
3
A hydrogen-bonded chain of rings in 7-amino-5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine, and a hydrogen-bonded framework structure in 3,7-diamino-2,5-dimethylpyrazolo[1,5-a]pyrimidine monohydrate.
7-氨基-5-叔丁基-2-甲基吡唑并[1,5-a]嘧啶中的氢键环链，以及3,7-二氨基-2,5-二甲基吡唑并[1,5-a]嘧啶一水合物中的氢键骨架结构。
Acta Crystallogr C. 2006 Aug;62(Pt 8):o521-4. doi: 10.1107/S0108270106025893. Epub 2006 Jul 29.