Original scientific paper

A Folded Conformation of 1,4,8,11-Tetrathiacyclotetradecane in its Mercury Compound: l,4,8,11-Tetrathiacyclotetradecanedipicratomercury( II) Heminitromethane, [Hg(C10H20S4)· (C6H2N307)2] · 1/2CH3N02

Marija Herceg ; Rudjer Boskovic Institute, 41001 Zagreb, Yugoslavia
Boris Matković ; Rudjer Boskovic Institute, 41001 Zagreb, Yugoslavia
Drenka Sevdić ; Rudjer Boskovic Institute, 41001 Zagreb, Yugoslavia
Dubravka Matković-Čalogović ; Faculty of Science, University of Zagreb, 41001 Zagreb, Yugoslavia
Ante Nagl ; Faculty of Science, University of Zagreb, 41001 Zagreb, Yugoslavia

Abstract

The crystals of 1,4,8,11-tetrathiacyclotetradecanedipicratomercury(
II) heminitromethane, [Hg(C10H20S4) · (CsH2Ns01h] · 1/2CHsN02,
are triclinic, spcrce group Pl with a = 1.2794(6), b = 1.3108(5), c =
= 1.0090(3) nm, a= 92.85(3) 0
, fJ = 107.67(3)0
, y = 94.54(4) 0
, V = 1.60236
nm3, and Z = 2. The structure was solved by the heavy atom
method and refined by the least-squares method to R = 0.030 for
the 7321 unique reflections. It consists of discrete, well separated
molecules. Coordination of the mercury atom is a distorted octahedron
with four sulfur atoms (Hg-S distances are 245.8(1),
251.9(1), 262 .. 9(2), and 305.0(2) pm) from the macrocycle and two
oxygen moms (Hg-0 distances are 253.1(3) and 255.8(3) pm) from
the two picrates. The macrocycle is folded so that three sulfur
atoms with short Hg-S bonds are in an equatorial and the fourth
in an apical position. The conformation of the coordinated macrocycle
is compared to the conformation of cyclotetradecane at 116 K
and to the conformation of the free crysta-lline macrocycle.

Keywords

Hrčak ID:

194129

URI

https://hrcak.srce.hr/194129

Publication date:

20.10.1984.

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