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Structure of 52313-50-5

Chemical Structure| 52313-50-5

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Nijhuis, Mart Ruben ; Yamba, Zaina ; Novikov, Egor ; Fonari, Marina S ; Timofeeva, Tatiana V ; Castañeda, Raúl

Abstract: Three amidine-based ligands were used in the crystal design of a series of mononuclear Zn(II) complexes. Interaction of zinc chloride, ZnCl2, with N-2-pyridylimidoyl-2-pyridylamidine (Py2 ImAm) resulted in complexes [Zn(Py2 ImAm)2 ] (1) and [ZnCl2 (Py2 ImAm)] (2). In [Zn(Py2 ImAm)2 ] (1, monoclinic, P21/c), the metal ion was coordinated with the bidentate pocket of the anionic form of Py2ImAm, while in [ZnCl2 (Py2 ImAm)] (2, monoclinic, P21/n), the tridentate coordination to a neutral Py2 ImAm was completed by two chloride anions. This structural variation was achieved by a pH-controlling strategy using the weak base triethylamine (TEA). Otherwise, three ionic complexes were obtained with (PyAm) and Zinc(II), [ZnCl(PyAm)2]Cl (3, triclinic, P-1), [ZnCl(PyAm)2]2[ZnCl4]·C2H5OH (4, monoclinic, P21/n), and [ZnCl(PyAm)2]2Cl·CH3OH (5, triclinic, P-1). They comprised the same [ZnCl(PyAm)2]+ monocation with a butterfly-like shape provided by the bidentate chelate coordination of two PyAm neutral entities and a chloride ligand. In a similar butterfly shape, ionic complex [ZnCl(PmAm)2]2[ZnCl4](6, monoclinic, C2/c) comprised the mononuclear [ZnCl(PmAm)2]+ cations with two bidentate chelate-coordinated (PmAm) as neutral ligands. The Zn(II) pentacoordinated arrangement in 3–6 was variable, from square pyramidal to trigonal bipyramidal. The reported compounds’ synthetic protocols, crystal structures and photoluminescence properties are discussed.

Keywords: zinc ; multidentate ligands ; X-ray crystallography ; photoluminescence ; coordination ; compounds ; pseudopolymorphs

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Product Details of [ 52313-50-5 ]

CAS No. :52313-50-5
Formula : C6H7N3
M.W : 121.14
SMILES Code : N=C(N)C1=NC=CC=C1
MDL No. :MFCD05663356
InChI Key :KNXKVYCVGXFLES-UHFFFAOYSA-N
Pubchem ID :556504

Safety of [ 52313-50-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 52313-50-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 52313-50-5 ]
  • Downstream synthetic route of [ 52313-50-5 ]

[ 52313-50-5 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 52313-50-5 ]
  • [ 1014720-73-0 ]
References: [1] Patent: US2012/202806, 2012, A1, .
 

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[ 52313-50-5 ]

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