In:
Zeitschrift für Naturforschung B, Walter de Gruyter GmbH, Vol. 61, No. 6 ( 2006-6-1), p. 758-765
Abstract:
[{Hg(CF 3 ) 2 }(ThpH)(H 2 O)](H 2 O) (1), [{Hg 4 (Thp) 4 }(ClO 4 ) 4 (H 2 O) 8 ](H 2 O) 4 (2), [{Hg(ThpH) 2 } (NO 3 )](NO 3 ) (3) and {Hg(Thp)Cl}(H 2 O) (4) (ThpH = theophylline, C 7 H 8 N 4 O 2 ) have been synthesized by slow evaporation of aqueous solutions of the mercuric salts Hg(CF 3 ) 2 , Hg(ClO 4 ) 2 , Hg(NO 3 ) 2 , or HgCl 2 and theophylline. Their crystal structures were determined on the basis of single crystal X-ray data. The coordination polymers 1 and 2 crystallize with triclinic symmetry, P1̅ (no. 2), with a = 468.8(2), b = 1256.4(5), c = 1445.5(6) pm, α = 67.15(3), β = 89.21(3), γ = 89.40(3)° and a = 833.6(1), b = 1862.7(2), c = 2182.9(2) pm, α = 111.61(1), β = 90.98(1), γ = 95.51(1)°, respectively. 3 and 4 crystallize with monoclinic symmetry, Pc (no. 7), a =1194.1(1), b=1258.8(2), c=735.5(2) pm, β =96.96(2)° and P21/n (no. 14), a=1069.0(2), b =911.6(1), c=1089.9(2) pm and β = 96.87(2)°. In 1 the theophylline molecules are non-coordinating to mercury and leave the Hg(CF 3 ) 2 molecule unchanged. Only weak electrostatic attractions to one keto-oxygen atom of theophylline and one water molecule hold this co-crystallisate together. In 2, the theophyllinate anion, Thp − , strongly coordinates with both N(7) and N(9) to Hg II forming a large ring with eight Hg atoms that incorporates the water molecules. One sort of nitrate ions in 3 is weakly attached to Hg II with the theophylline molecules still bound strongly through N(9). The chloride ligand and the theophyllinate ion seem to have the same strengths as ligands in 4 as they are both attached to Hg II with the shortest distances possible
Type of Medium:
Online Resource
ISSN:
1865-7117
,
0932-0776
DOI:
10.1515/znb-2006-0617
Language:
English
Publisher:
Walter de Gruyter GmbH
Publication Date:
2006
detail.hit.zdb_id:
2078109-X
detail.hit.zdb_id:
124635-5
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