In:
Acta Crystallographica Section C Structural Chemistry, International Union of Crystallography (IUCr), Vol. 73, No. 11 ( 2017-11-01), p. 930-936
Abstract:
The polyfluorinated title compounds, [ M Cl 2 (C 16 H 16 F 4 N 2 O 2 )] or [4,4′-(HCF 2 CH 2 OCH 2 ) 2 -2,2′-bpy] M Cl 2 [ M = Pd, ( 1 ), and M = Pt, ( 2 )], have –C(H α ) 2 OC(H β ) 2 CF 2 H side chains with H-atom donors at the α and β sites. The structures of ( 1 ) and ( 2 ) are isomorphous, with the nearly planar (bpy) M Cl 2 molecules stacked in columns. Within one column, π-dimer pairs alternate between a π-dimer pair reinforced with C—H...Cl hydrogen bonds (α,α) and a π-dimer pair reinforced with C—H β ...F(—C) interactions (abbreviated as C—H β ...F—C,C—H β ...F—C). The compounds [4,4′-(CF 3 CH 2 OCH 2 ) 2 -2,2′-bpy] M Cl 2 [ M = Pd, ( 3 ), and M = Pt, ( 4 )] have been reported to be isomorphous [Lu et al. (2012). J. Fluorine Chem. 137 , 54–56], yet with disorder in the fluorous regions. The molecules of ( 3 ) [or ( 4 )] also form similar stacks, but with alternating π-dimer pairs between the (α,β; α,β) and (β,β) forms. Through (C—)H...Cl hydrogen-bond interactions, one molecule of ( 1 ) [or ( 2 )] is expanded into an aggregate of two inversion-related π-dimer pairs, one pair in the (α,α) form and the other pair in the (C—H β ...F—C,C—H β ...F—C) form, with the plane normals making an interplanar angle of 58.24 (3)°. Due to the demands of maintaining a high coordination number around the metal-bound Cl atoms in molecule ( 1 ) [or ( 2 )], the ponytails of molecule ( 1 ) [or ( 2 )] bend outward; in contrast, the ponytails of molecule ( 3 ) [or ( 4 )] bend inward.
Type of Medium:
Online Resource
ISSN:
2053-2296
DOI:
10.1107/S2053229617013857
DOI:
10.1107/S2053229617013857/ku3207sup1.cif
DOI:
10.1107/S2053229617013857/ku3207i12726sup2.hkl
DOI:
10.1107/S2053229617013857/ku3207i16258sup3.hkl
DOI:
10.1107/S2053229617013857/ku3207sup4.pdf
DOI:
10.1107/S2053229617013857/ku3207sup5.cif
DOI:
10.1107/S2053229617013857/ku3207sup6.cif
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2017
detail.hit.zdb_id:
2025703-X
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