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Journal ArticleDOI

2D polymeric cadmium(II) complexes containing 1,3-imidazolidine-2-thione (Imt) ligand, [Cd(Imt)(H2O)2(SO4)]n and [Cd(Imt)2(N3)2]n

TL;DR: In this paper, the structural investigation of two polymeric cadmium(II) complexes of imidazolidine-2-thione (Imt) based on sulfate or azide ions was carried out.
About: This article is published in Journal of Molecular Structure.The article was published on 2018-03-15 and is currently open access. It has received 9 citations till now. The article focuses on the topics: Octahedral molecular geometry & Coordination sphere.

Summary (1 min read)

1. Introduction

  • Cadmium(II) is known to form a wide variety of 1:1 to 1:4 complexes with thiones (L), with the structural arrangements generally based on tetrahedl and octahedral coordination environments.
  • (MeImt = N-methylimidazolidine-2-thione) usually exist in the polymeric form.

2. Experimental

  • 1. Materials M AN US CR IP T AC CE PT ED 4 Cadmium sulfate (CdSO4 .8/3H2O) and NaN3 were obtained from Merck Chemical Company, Germany.
  • Imidazolidine-2-thione was prepared according to the method reported in the literature [36].
  • As a result, a white crystalline product was obtained, that was washed with methanol and dried.
  • Crystal data and details of the data collection are summarized in Table 1.

3. Results and Discussion

  • 1. X-ray Structure Studies Selected bond angles and distances are given in Table 1.
  • The azide anion forms an end-to-end bridge between two cadmium ions resulting into a 2D network based on a 16-membered ring motif [CdN3]4 .

4. Conclusion

  • The X-ray structures of the complexes show that both of them exist in the form of two dimensional polymers with each cadmium atom being octahedrally coordinated.
  • The polymers are assembled through triplybridging sulfate and doubly-bridging, µ(1,3) azide ions in case of 1 and 2 respectively.
  • Acknowledgement M AN US CR IP T AC CE PT ED 14 The Deanship of Scientific Research, Prince Sattam bin Abdulaziz University, Al-Kharj, Saudi Arabia is gratefully acknowledged for supporting this work through Project No. 2016/01/6822.
  • Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK, e-mail: deposit@ccdc.cam.ac.uk or www.ccdc.cam.ac.uk.

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Citations
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Journal ArticleDOI
TL;DR: A survey of relatively recent coordination compounds of these metals is described with selective heterocyclic thiones, namely, pyridine-2-thione, pyrimidine-two-thiones and purine-6thione as discussed by the authors.

18 citations

Journal ArticleDOI
TL;DR: In this article, a series of 1,3-disubstituted 4-benzylideneamino-5thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-ones (thioglycolurils) was synthesized via the reaction of 5,7-disubsubstitized 3-thioxoperhydroIMidazo [4, 5-e]-1,2,4-triazin-6-ones with hydroxy-, alkoxy-, and
Abstract: A series of 1,3-disubstituted 4-benzylideneamino-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-ones (thioglycolurils) was synthesized via the reaction of 5,7-disubstituted 3-thioxoperhydroimidazo[4,5-e]-1,2,4-triazin-6-ones with hydroxy-, alkoxy-, and fluorocontaining benzaldehyde derivatives. An alkylation of the obtained thioglycolurils with methyl iodide or 4-bromobenzyl bromide provided the corresponding 6-benzylideneamino-5-alkylsulfanyl-3,3a,6,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-ones. The fungicidal activity of some synthesized compounds against pathogens causing diseases of agricultural crops was studied.

11 citations

Journal ArticleDOI
TL;DR: In this article, new mononuclear cadmium (II) complexes based on thiocarbamoyl-pyrazoline ligands were synthesized and structurally characterized.

6 citations

Journal ArticleDOI
TL;DR: In this paper , the authors synthesized four new Au(I)-NHC complexes (1-4) by reacting (1,3-bis(2,6-di-isopropylphenyl)imidazol-2-ylidenegold(I)chloride) (Au(Ipr)Cl) with four different thiones, namely N-(i-propyl)IMidazolidine- 2-thione (i-PrImt), N-(dipropyl)-imidrazolidine (2-THione), 1, 3-Diazinane-2,Diaz, and 1,3 -Diazipane- 2 -thione(Diap), which showed moderate anticancer activities against selected cancer cell lines.

1 citations

References
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TL;DR: New features added to the refinement program SHELXL since 2008 are described and explained.
Abstract: The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF (Crystallographic Information Framework) format for validating and archiving crystal structures. An important simplification is that now only one file in CIF format (for convenience, referred to simply as `a CIF') containing embedded reflection data and SHELXL instructions is needed for a complete structure archive; the program SHREDCIF can be used to extract the .hkl and .ins files required for further refinement with SHELXL. Recent developments in SHELXL facilitate refinement against neutron diffraction data, the treatment of H atoms, the determination of absolute structure, the input of partial structure factors and the refinement of twinned and disordered structures. SHELXL is available free to academics for the Windows, Linux and Mac OS X operating systems, and is particularly suitable for multiple-core processors.

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TL;DR: L Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.
Abstract: Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. CrysL (1985). 18, 189190] and on the World Wide Web at http://www.iucr. ac. uk/journals/jac/software/. Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known. J. App/. CrysL (1997). 30, 565 ORTEP-3 for Windows a version of ORTEP-III with a Graphical User Interface (GUI)

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TL;DR: This work automates routine small-molecule structure determination starting from single-crystal reflection data, the Laue group and a reasonable guess as to which elements might be present.
Abstract: The new computer program SHELXT employs a novel dual-space algorithm to solve the phase problem for single-crystal reflection data expanded to the space group P1. Missing data are taken into account and the resolution extended if necessary. All space groups in the specified Laue group are tested to find which are consistent with the P1 phases. After applying the resulting origin shifts and space-group symmetry, the solutions are subject to further dual-space recycling followed by a peak search and summation of the electron density around each peak. Elements are assigned to give the best fit to the integrated peak densities and if necessary additional elements are considered. An isotropic refinement is followed for non-centrosymmetric space groups by the calculation of a Flack parameter and, if appropriate, inversion of the structure. The structure is assembled to maximize its connectivity and centred optimally in the unit cell. SHELXT has already solved many thousand structures with a high success rate, and is optimized for multiprocessor computers. It is, however, unsuitable for severely disordered and twinned structures because it is based on the assumption that the structure consists of atoms.

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Journal ArticleDOI
TL;DR: Mercury as discussed by the authors is a crystal structure visualization tool that allows highly customizable searching of structural databases for intermolecular interaction motifs and packing patterns, as well as the ability to perform packing similarity calculations between structures containing the same compound.
Abstract: The program Mercury, developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of functionality has been produced, called the Materials Module, which allows highly customizable searching of structural databases for intermolecular interaction motifs and packing patterns. This new module also includes the ability to perform packing similarity calculations between structures containing the same compound. In addition to the Materials Module, a range of further enhancements to Mercury has been added in this latest release, including void visualization and links to ConQuest, Mogul and IsoStar.

7,879 citations

Journal ArticleDOI
TL;DR: In this article, a series of thiones in DMSO using 13 C and 15 N NMR spectroscopy were investigated and the equilibrium constants (Keq) were determined for scrambling of all the complexes by integrating the CN resonances in the 13 C NMR recorded at 298 K.
Abstract: Ligand scrambling reactions in cyano(thione)gold(I) complexes ((>C=S-Au-CN)) to form (Au(>C=S)2) + and (Au(CN)2) - species have been investigated for a series of thiones in DMSO using 13 C and 15 N NMR spectroscopy. Rapid approach to equilibrium occurred and resulted in distinct signals for the (>C=S-Au-CN) and (Au(CN)2) - com- plexes, both in 13 C and 15 N NMR. Equilibrium constants (Keq) were determined for scrambling of all the complexes by integrating the CN resonances in the 13 C NMR recorded at 298 K. The influence of various factors (initial concentra- tion, ionic strength, temperature, and solvent polarity) on the Keq value was examined for a representative complex (ImtAuCN (Imt = Imidazolidine-2-thione)).

67 citations

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Q1. What are the contributions in this paper?

In this paper, Mahmood et al. reported the crystal structures of new 2D polymeric cadmium ( II ) complexes containing 1,3imidazolidine-2-thione ( Imt ) ligand.