[1,5-Bis(4-fluorophenyl)thiocarbazonato-κ2N5,S] phenylmercury(II) dichloromethane hemisolvate

Karel G. von Eschwege; Fabian Muller; Alfred Muller

doi:10.1107/S1600536811050331

[1,5-Bis(4-fluorophenyl)thiocarbazonato-κ²N⁵,S] phenylmercury(II) dichloromethane hemisolvate

Karel G. von Eschwege, Fabian Muller, Alfred Muller

Chemical Sciences

University of The Free State

Research output: Contribution to journal › Article › peer-review

5 Citations (Scopus)

Abstract

In the title compound, [Hg(C₆H₅)(C₁₃H ₉F₂N₄S)]·0.5CH₂Cl ₂, the Hg(C6H5) units are twisted out of the planes of the thiocarbazonate ligands by 61.49 (10) and 67.79 (11)°in the two complex molecules comprising the asymmetric unit. Important geometrical parameters include Hg - C = 2.079 (4) and 2.087 (4) Å, Hg - S = 2.3869 (10) and 2.3889 (11) Å, and C - Hg - S = 166.42 (12) and 168.09 (13)°. Weak intramolecular Hg - N bonding interactions of 2.589 (4) and 2.626 (4) Å are observed. In the crystal, C-H⋯Cl, C-H⋯F, C-H⋯N, C - H⋯π and π-π [centroid-centroid distances = 3.648 (3) and 3.641 (3) Å] interactions, create parallel planes along [101].

Original language	English
Pages (from-to)	m1858-m1859
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	12
DOIs	https://doi.org/10.1107/S1600536811050331
Publication status	Published - Dec 2011

Keywords

R factor = 0.032
T = 100 K
data-to-parameter ratio = 18.9
mean σ(C-C) = 0.007 Å
single-crystal X-ray study
some non-H atoms missing
wR factor = 0.074

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

Access to Document

10.1107/S1600536811050331

Cite this

@article{11243ddf391342249673f18c80c9f4d7,

title = "[1,5-Bis(4-fluorophenyl)thiocarbazonato-κ2N5,S] phenylmercury(II) dichloromethane hemisolvate",

abstract = "In the title compound, [Hg(C6H5)(C13H 9F2N4S)]·0.5CH2Cl 2, the Hg(C6H5) units are twisted out of the planes of the thiocarbazonate ligands by 61.49 (10) and 67.79 (11)°in the two complex molecules comprising the asymmetric unit. Important geometrical parameters include Hg - C = 2.079 (4) and 2.087 (4) {\AA}, Hg - S = 2.3869 (10) and 2.3889 (11) {\AA}, and C - Hg - S = 166.42 (12) and 168.09 (13)°. Weak intramolecular Hg - N bonding interactions of 2.589 (4) and 2.626 (4) {\AA} are observed. In the crystal, C-H⋯Cl, C-H⋯F, C-H⋯N, C - H⋯π and π-π [centroid-centroid distances = 3.648 (3) and 3.641 (3) {\AA}] interactions, create parallel planes along [101].",

keywords = "R factor = 0.032, T = 100 K, data-to-parameter ratio = 18.9, mean σ(C-C) = 0.007 {\AA}, single-crystal X-ray study, some non-H atoms missing, wR factor = 0.074",

author = "{von Eschwege}, {Karel G.} and Fabian Muller and Alfred Muller",

year = "2011",

month = dec,

doi = "10.1107/S1600536811050331",

language = "English",

volume = "67",

pages = "m1858--m1859",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

number = "12",

}

TY - JOUR

T1 - [1,5-Bis(4-fluorophenyl)thiocarbazonato-κ2N5,S] phenylmercury(II) dichloromethane hemisolvate

AU - von Eschwege, Karel G.

AU - Muller, Fabian

AU - Muller, Alfred

PY - 2011/12

Y1 - 2011/12

N2 - In the title compound, [Hg(C6H5)(C13H 9F2N4S)]·0.5CH2Cl 2, the Hg(C6H5) units are twisted out of the planes of the thiocarbazonate ligands by 61.49 (10) and 67.79 (11)°in the two complex molecules comprising the asymmetric unit. Important geometrical parameters include Hg - C = 2.079 (4) and 2.087 (4) Å, Hg - S = 2.3869 (10) and 2.3889 (11) Å, and C - Hg - S = 166.42 (12) and 168.09 (13)°. Weak intramolecular Hg - N bonding interactions of 2.589 (4) and 2.626 (4) Å are observed. In the crystal, C-H⋯Cl, C-H⋯F, C-H⋯N, C - H⋯π and π-π [centroid-centroid distances = 3.648 (3) and 3.641 (3) Å] interactions, create parallel planes along [101].

AB - In the title compound, [Hg(C6H5)(C13H 9F2N4S)]·0.5CH2Cl 2, the Hg(C6H5) units are twisted out of the planes of the thiocarbazonate ligands by 61.49 (10) and 67.79 (11)°in the two complex molecules comprising the asymmetric unit. Important geometrical parameters include Hg - C = 2.079 (4) and 2.087 (4) Å, Hg - S = 2.3869 (10) and 2.3889 (11) Å, and C - Hg - S = 166.42 (12) and 168.09 (13)°. Weak intramolecular Hg - N bonding interactions of 2.589 (4) and 2.626 (4) Å are observed. In the crystal, C-H⋯Cl, C-H⋯F, C-H⋯N, C - H⋯π and π-π [centroid-centroid distances = 3.648 (3) and 3.641 (3) Å] interactions, create parallel planes along [101].

KW - R factor = 0.032

KW - T = 100 K

KW - data-to-parameter ratio = 18.9

KW - mean σ(C-C) = 0.007 Å

KW - single-crystal X-ray study

KW - some non-H atoms missing

KW - wR factor = 0.074

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U2 - 10.1107/S1600536811050331

DO - 10.1107/S1600536811050331

M3 - Article

AN - SCOPUS:83155189081

SN - 1600-5368

VL - 67

SP - m1858-m1859

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 12

ER -