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Demirtas, Gunes/0000-0001-9953-4026; Dege, Necmi/0000-0003-0660-4721 WOS: 000356646800014 Two new one-dimensional coordination polymers of barium(II) and strontium(II)-acesulfamato complexes such as [Ba(C4H4NO4S)(2)(H2O)](n) (1) and [Sr(C4H4NO4S)(2)(H2O)](n) (2) have been synthesized and their molecular structures were identified by X-ray diffraction technique. Both barium(II) and strontium(II) complexes crystallize in the centrosymmetric monoclinic space group P12(1)/c1 and barium(II) and strontium(II) ions, which are surrounded by O- and N-atoms, have the coordination number of nine. Each complex forms a structure like a polymer extending parallel to the a-axis. The molecular structures of those complexes were stabilized by O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds. Besides identifying their crystallographic structures, the geometric parameters were also calculated using density functional theory (B3LYP) with 6-31G base sets for the asymmetric units of the complexes. The calculated geometrical parameters were also compared to the geometric parameters of X-ray diffraction technique. Furthermore, molecular electrostatic potential maps were constructed and frontier molecular orbital calculations were done for the synthesized complexes. The results of the experimental and theoretical IR studies were also compared. Ondokuz Mayis University Research FundOndokuz Mayis University [PYO.FEN.1904.09.006] The authors thank the Ondokuz Mayis University Research Fund for financial support of this project (Project No: PYO.FEN.1904.09.006).

Demirtas, Gunes/0000-0001-9953-4026; Dege, Necmi/0000-0003-0660-4721; WOS: 000298966100041 PubMed: 22259347 In the crystal structure of the title compound, [Cu(C4H4NO4S)(2)(C2H8N2)(2)], the Cu2+ ion resides on a centre of symmetry. The environment of Cu2+ ion is a distorted octahedron. The axial bond lengths between the Cu-II ion and the N atoms are considerably longer than the equatorial bond distances between the Cu-II ion and the N atoms of the ethylenediamine ligand as a consequence of the Jahn-Teller effect. The molecular conformation is stabilized by intramolecular N-H center dot center dot center dot O hydrogen bonds. In the crystal, molecules are connected by intermolecular N-H center dot center dot center dot O hydrogen bonds into chains running along the a axis. Ondokuz Mayis UniversityOndokuz Mayis University The authors thank the Ondokuz Mayis University Research Fund for financial support.

Sahin, Onur/0000-0003-3765-3235 WOS: 000280459000010 The title compound, trans-bis(acesulfamato-O)tetraaquazinc(II) (I, C8H16N2O12S2Zn), crystallizes in the triclinic system, space group P (1) over bar with a = 5.1638(5), b = 8.5338(9), c = 9.9583(9) angstrom, alpha = 74.325(8), beta = 81.112(7), gamma = 75.800(8)degrees, V = 407.77(7) angstrom(3), Z = 1, F(000) = 236, R-int = 0.085, T = 296 K, the final R = 0.029 and wR = 0.078 for 1832 observed reflections with I > 2 sigma(I). The Zn-II centre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is defined by two carbonyl 0 atoms of two monodentate trans-oriented acesulfamato ligands and two trans-aqua ligands. The axial positions in the octahedron are occupied by two trans-aqua ligands. Intermolecular O-H center dot center dot center dot O hydrogen bonds produce R-2(2)(8) and R-2(2)(16) rings, which lead to two-dimensional polymeric chains. University Research Fund [F279] The authors acknowledge the Faculty of Arts and Sciences, Ondokuz Mars University, Turkey, for the use of the Stoe IPDSII diffractometer (purchased under grant No. F279 of the University Research Fund)

WOS: 000272445600006 PubMed: 19966427 In the structure of the title compound, [Cd-2(C4H4NO4S)(2)(C6H7N)(2)], the dinuclear Cd-II complex is located on a twofold axis with two Cd2+ ions bridged by two oxide O atoms. Each Cd2+ ion is additionally coordinated in an equatorial plane by two N and three O atoms of the acesulfamate ligands and axially by two N atoms of the 3-methylpyridine ligands, resulting in a distorted pentagonal bipyramidal coordination. We present here an example of a supramolecular assembly based on hydrogen bonds in a mixed-ligand metal complex; intermolecular C-H center dot center dot center dot O hydrogen bonds give rise to R-4(4)(40) rings, which lead to one-dimensional chains. University Research Fund [F279] The authors acknowledge the Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey, for the use of the Stoe IPDSII diffractometer purchased under grant No. F279 of the University Research Fund.

Dege, Necmi/0000-0003-0660-4721 WOS: 000243278800009 PubMed: 17206035 In the crystal structure of the title compound [ systematic name: diaquabis(6-methyl-2,2-dioxo-1,2,3-oxathiazin-4-olato-kappa O-4)bis(3-methylpyridine-kappa N)nickel(II)], [Ni(C4H4NO4S)(2)(C6H7N)(2)(H2O)(2)], the Ni-II centre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans-oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octahedron are occupied by two N atoms of two trans pyridine ligands. Molecules are stacked in columns running along the a axis. There are pi-pi stacking interactions between the molecules in each column, with a distance of 3.623 (2) angstrom between the centroids of the pyridine rings. There are also O-H center dot center dot center dot O interactions between the columns.

The crystal structure of the complex, [Mg H2O 6] C4H4NO4S 2, was determined at 296 K. The unit cell parame- ters of the crystal structure are a=6.9404 Å, b=8.5775 Å, c=8.7200 Å, α=68.564°, β=78.640°, γ=81.260° and Z=1. The complex crystallizes in the centrosymmetric triclinic space group P-1. The Mg II ion is coordinated by six O atoms from six aqua ligands and in the crystal structure, the anions and cations are linked with three dimensions via O—H···O and O—H···N interactions. In addition to the structure which was obtained by X-ray diffraction technique, the theoretical structure was calculated by using density functional theory B3LYP with the 6-31G basis sets. The molecular electrostatic potential, frontier molecular orbitals and theoretical IR studies were calculated by using DFT method. Besides, the experimental IR spectrum and thermal analysis were investigated for the complex., Kompleksin kristal yapısı [Mg HO ] CHNOS , 296 K’de tayin edildi. Moleküler Kristal yapının birim hücre parametreleri a=6.9404 Å, b=8.5775 Å, c=8.7200 Å, α=68.564°, β=78.640°, γ=81.260° ve Z=1 olarak saptanmıştır. Kompleks merkezi simetrik triklinik yapıda kristallenmiş olup uzay grubu P-1’dir. Her bir Mg II iyonu altı mol su ligandının O atomları tarafından koordine edilmiştir. Kristal yapıda anyonlar ve katyonlar O—H···O ve O—H···N etkileşimleriyle üç boyutlu yapıyı oluştururlar. İlave olarak yoğunluk fonksiyonel teori DFT B3LYP yönteminin 6-31G temel setleri kullanılarak elde edilen hesaplanmış sonuçlarla deneysel X-ışınları kırınım sonuçları kıyaslanarak moleküler yapı oluşturulmuştur. Moleküler elektrostatik potansiyel, frontier moleküler orbitaller ve IR spektrumu DFT yöntemi kullanılarak hesaplanmıştır. Ayrıca, deneysel IR spektroskopi ve termal analiz yöntemleri ile yapı incelenmiştir

Nicotinamide-acetylsalicylato complexes of Co II , Ni II , Cu II , and Zn II were synthesised and their structural properties were investigated by employing elemental analysis, magnetic susceptibilitiy, solid state UV-vis, direct injectionprobe mass, FTIR and thermoanalytic TG-DTG methods. It was found that ratio of metal:ligand:ligand is 1:2:2 and thedecomposition of each complex starts with dehydration and follows by decomposition of the nicotinamide and acetylsalicylato, respectively. The thermal dehydration of the complexes takes place in steps from one to two. The decomposition mechanism and thermal stability of the investigated complexes are interpreted in terms of their structures. Thefinal decomposition products are found to be the respective metal oxides