In:
Acta Crystallographica Section C Structural Chemistry, International Union of Crystallography (IUCr), Vol. 75, No. 7 ( 2019-07-01), p. 951-959
Abstract:
The reaction between 2-[2-(aminoethyl)amino]ethanol and pyridine-2-carbaldehyde in a 1:2 molar ratio affords a mixture containing 2-({2-[(pyridin-2-ylmethylidene)amino] ethyl}amino)ethanol (PMAE) and 2-[2-(pyridin-2-yl)oxazolidin-3-yl]- N -(pyridin-2-ylmethylidene)ethanamine (POPME). Treatment of this mixture with copper(II) chloride or cadmium(II) chloride gave trichlorido[(2-hydroxyethyl)({2-[(pyridin-2-ylmethylidene)amino]ethyl})azanium] copper(II) monohydrate, [Cu(C 10 H 16 N 3 O)Cl 3 ]·H 2 O or [Cu(HPMAE)Cl 3 ]·H 2 O, 1 , and dichlorido{2-[2-(pyridin-2-yl)oxazolidin-3-yl]- N -(pyridin-2-ylmethylidene)ethanamine}cadmium(II), [CdCl 2 (C 16 H 18 N 4 O)] or [CdCl 2 (POPME)], 2 , which were characterized by elemental analysis, FT–IR, Raman and 1 H NMR spectroscopy and single-crystal X-ray diffraction. PMAE is potentially a tetradentate N 3 O-donor ligand but coordinates to copper here as an N 2 donor. In the structure of 1 , the geometry around the Cu atom is distorted square pyramidal. In 2 , the Cd atom has a distorted octahedral geometry. In addition to the hydrogen bonds, there are π–π stacking interactions between the pyridine rings in the crystal packing of 1 and 2 . The ability of PMAE, POPME and 1 to interact with ten selected biomolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS, Top II and B-DNA) was investigated by docking studies and compared with doxorubicin.
Type of Medium:
Online Resource
ISSN:
2053-2296
DOI:
10.1107/S2053229619008258
DOI:
10.1107/S2053229619008258/fn3313sup1.cif
DOI:
10.1107/S2053229619008258/fn3313km42sup2.hkl
DOI:
10.1107/S2053229619008258/fn3313zk1sup3.hkl
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2019
detail.hit.zdb_id:
2025703-X
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