Related Experiment Video
Updated: Jun 9, 2026
The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes
Published on: April 10, 2015
Synthesis, crystal structure and Hirshfeld analysis of the
Renan Lira de Farias1, Johannes Beck2, Jörg Daniels2
1Departamento de Química, Pontifícia Universidade Católica do Rio de Janeiro, Rua Marquês de São Vicente 225, 22451-900 Rio de Janeiro-RJ, Brazil.
Abstract:
The title compound, [HgCl2(C12H15N3O2S)2], was synthesized by the reaction of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl-idene]-N-ethyl-hydrazine-1-carbo-thio-amide [common name: 3',4'-(methyl-enedi-oxy)aceto-phenone 4-ethyl-thio-semicarbazone] with mercury(II) chloride in a 2:1 molar ratio at ambient temperature, using ethanol as solvent. A white solid was isolated and colourless single crystals of the title compound for the SC-XRD analysis were obtained from a solution in (methane-sulfin-yl)methane (common name: dimethyl sulfoxide, DMSO) with a hexane overlay. The HgII metal center is fourfold coordinated in a distorted tetra-hedral geometry by two neutral thio-semicarbazone derivatives, acting as κS-donors, and two chlorido ligands. The complex mol-ecule exhibits a sequence of four intra-molecular hydrogen-bonded rings, formed by two inter-actions of the N-H⋯Cl type, with graph-set motifs of S(6) and showing a chelate-like coordination environment around the metal center, and two additional inter-actions of the N-H⋯N type with S(5) graph-set motifs. In the crystal, the mol-ecules are linked via N-H⋯Cl inter-molecular inter-actions along the c-axis, forming a hydrogen-bonded ribbon-like supra-molecular arrangement that resembles a zigzag pattern along the c-axis direction, and with the Cl atoms acting as bridges between intra- and inter-molecular hydrogen bonds. The Hirshfeld surface analysis suggests that the major contributions for the crystal cohesion are the H⋯H (40.4%), H⋯Cl/Cl⋯H (14.5%), H⋯C/C⋯H (11.3%), H⋯O/O⋯H (10.6%) and H⋯S/S⋯H (9.2%) inter-molecular contacts, with the surface being mapped over the d norm, shape-index and curvedness properties.
More Related Videos
![The Synthesis of [Sn10(Si(SiMe3)3)4]2- Using a Metastable Sn(I) Halide Solution Synthesized via a Co-condensation Technique](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F54498.jpg&w=3840&q=50)
12:43The Synthesis of [Sn10(Si(SiMe3)3)4]2- Using a Metastable Sn(I) Halide Solution Synthesized via a Co-condensation Technique
Published on: November 28, 2016
12:59A Study of the Complexation of Mercury(II) with Dicysteinyl Tetrapeptides by Electrospray Ionization Mass Spectrometry
Published on: January 8, 2016
Related Concept Videos
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
02:34Structural Isomerism
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can be...
01:16Structure of Conjugated Dienes
Conjugated dienes are compounds characterized by the presence of alternating double and single bonds. In a conjugated system like 1,3-butadiene, the unhybridized 2p orbital on each carbon overlaps continuously, allowing the π electrons to be delocalized across the entire molecule. In contrast, this type of overlap does not occur in cumulated and isolated dienes, such as 2,3-pentadiene and 1,4-pentadiene, respectively. Instead, the π electrons remain localized between the double...
02:42Valence Bond Theory
01:19Diazonium Group Substitution: –OH and –H
02:52Stereoisomerism
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...