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

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

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作者:N'gaza N'gandi, Jeanneau Erwann, Marestin Catherine, Mercier Regis
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-b:4',3'-e]pyridin-4-yl)phenol (1), C(27)H(21)N(5)O·2C(2)H(6)OS, has been synthesized by a Hantzsch multicomponent reaction using acetic acid (AcOH) as solvent and copper(II) acetate monohydrate [Cu(OAc)(2)·H(2)O] 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 P1, with one mol-ecule per asymmetric unit. Whereas the phenolic substituent in the para 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.

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