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Crystal structure of di-chlorido-bis-(methyl isonicotinate-κN)copper(II).

ABSTRACT: In the title compound, [CuCl2(C7H7NO2)2], the square-planar-coordinated Cu(II) ion lies on a centre of symmetry and is bonded to two monodentate methyl-isonicotinate ligands through their N atoms and by two chloride ligands. The mol-ecules pack in a herringbone pattern. Perpendicular to [100] there are weak inter-molecular C-H⋯Cl and C-H⋯O contacts. Along [100] there are infinite chains of edge-sharing octa-hedra linked through the chlorido ligands.

SUBMITTER: Ahadi E

PROVIDER: S-EPMC4420097 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of di-μ-chlorido-bis(chlorido-{N (1)-phenyl-N (4)-[(pyridin-2-yl-κN)methyl-idene]benzene-1,4-di-amine-κN (4)}mercury(II)).

Project description:The whole mol-ecule of the title complex, [Hg2Cl4(C18H15N3)2], is generated by inversion symmetry. It was synthesized from the pyridine-derived Schiff base N-phenyl-N'-[(pyridin-2-yl)methyl-idene]benzene-1,4-di-amine (PPMBD). The five-coordinated Hg(2+) ions have a distorted square-pyramidal environment defined by two N atoms, viz. the imine and the other pyridyl [Hg-N = 2.467 (6) and 2.310 (6) Å, respectively] belonging to the bidentate imino-pyridine ligand, and three Cl atoms [Hg-Cl = 2.407 (2), 2.447 (2) and 3.031 (2) Å]. The longest Hg-Cl bond is bridging about the inversion centre. In the ligand, the central ring and pyridine ring are oriented at a dihedral angle of 8.1 (4)°, while the planes of the pyridine ring and the terminal phenyl ring are oriented at a dihedral angle of 53.8 (4)°. In the crystal, mol-ecules are linked by N-H⋯Cl and C-H⋯Cl hydrogen bonds, forming sheets parallel to (001).

| S-EPMC4555402 | biostudies-literature

Di-μ-chlorido-bis-[dichlorido(3,3',5,5'-tetra-methyl-4,4'-bipyrazol-1-ium-κN)copper(II)] dihydrate.

Project description:The structure of the centrosymmetric title compound, [Cu(2)Cl(6)(C(10)H(15)N(4))(2)]·2H(2)O, consists of a dimeric [{(HMe(4)bpz)CuCl(3)}(2)] unit (HMe(4)bpz is 3,3',5,5'-tetra-methyl-4,4'-bipyrazol-1-ium) with two solvent water molecules. Each [HMe(4)bpz](+) cation is bonded to a CuCl(3) unit through a Cu-N dative bond, effectively making square-planar geometry at the Cu atom. Two of these units then undergo a face-to-face dimerization so that the Cu atoms have a Jahn-Teller distorted square-pyramidal geometry with three chlorides and an N atom in the basal plane and one chloride weakly bound in the apical position. Several N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds form a three-dimensional network.

| S-EPMC2961969 | biostudies-literature

Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis-[4-(di-methyl-amino)-pyridinium] di-?-chlorido-bis[di-chlorido-mercurate(II)].

Project description:The title mol-ecular salt, (C7H11N2)2[Hg2Cl6], crystallizes with two 4-(di-methyl-amino)-pyridinium cations (A and B) and two half hexa-chlorido-dimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of 0.0028 and 0.0109?Å), which forms an inclined dihedral angle with the dimethyamino group [3.06?(1) and 1.61?(1)°, respectively]. The di-methyl-amino groups in the two cations are planar, and the C-N bond lengths are shorter than that in 4-(di-methyl-amino)-pyridine. In the crystal, mixed cation-anion layers lying parallel to the (010) plane are formed through N-H?Cl hydrogen bonds and adjacent layers are linked by C-H?Cl hydrogen bonds, forming a three-dimensional network. The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above inter-molecular inter-actions, but also serve to further differentiate the weaker inter-molecular inter-actions formed by the organic cations and inorganic anions, such as ?-? and Cl?Cl inter-actions. The powder XRD data confirms the phase purity of the crystalline sample. Furthermore, the vibrational absorption bands were identified by IR spectroscopy and the optical properties were studied by using optical UV-visible absorption spectroscopy.

| S-EPMC6829733 | biostudies-literature

Crystal structure of di-chlorido-bis-(N,N'-di-methyl-thio-urea-κS)mercury(II).

Project description:The mol-ecular structure of the title compound, [HgCl2(C3H8N2S)2], has point group symmetry 2, with the twofold rotation axis passing through the Hg(II) atom. The latter is coordinated by two Cl atoms and two N,N'-di-methyl-thio-urea (Dmtu) ligands through their S atoms, defining a distorted tetra-hedral coordination sphere with bond angles in the range 102.47 (4)-118.32 (4)°. Intra- and inter-molecular hydrogen bonds of the type N-H⋯Cl with S(6) and R 2 (2)(12) ring motifs are present. The inter-molecular contacts make up polymeric chains extending parallel to [101].

| S-EPMC4555414 | biostudies-literature

Di-μ-chlorido-bis-{chlorido[4-nitro-N-(pyridin-2-yl-methyl-idene-κN)aniline-κN]mercury(II)}.

Project description:In the centrosymmetric dinuclear title complex, [Hg(2)Cl(4)(C(12)H(9)N(3)O(2))(2)], the Hg(II) ion is in a distorted square-pyramidal coordination environment formed by the N atoms of the diimine ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Hg-Cl bonds is significantly longer than the other.

| S-EPMC3051965 | biostudies-literature

Crystal structure of bis-[4-(di-methyl-amino)-pyridine-κN (1)]bis-(methanol-κO)bis-(thio-cyanato-κN)manganese(II).

Project description:The whole mol-ecule of the title compound, [Mn(NCS)2(CH3OH)2(C5H6N2)2], is generated by inversion symmetry. The Mn(II) ion, which is located on an inversion center, is coordinated by two 4-(di-methyl-amino)-pyridine ligands, two methanol ligands and two terminally N-bonded thio-cyanate anions, forming a slightly distorted octa-hedron. In the crystal, mol-ecules are linked by O-H⋯S hydrogen bonds, forming chains extending along the a-axis direction.

| S-EPMC4420091 | biostudies-literature

Crystal structure of [bis-(2-amino-ethyl-κN)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine-κN]di-chlorido-copper(II).

Project description:The Cu(II) atom in the title compound, [CuCl2(C14H21F3N4)], adopts a coordination geometry that is between distorted square-based pyramidal and very Jahn-Teller-elongated octa-hedral. It is coordinated by three N atoms from the bis-(2-amino-eth-yl)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine and two chloride ligands. The two crystallographically unique copper complexes present in the asymmetric unit exhibit noticeable differences in the coordination bond lengths. Considering the Cu(II) atoms as having square-pyramidal geometry, the basal Cu-Cl bond lengths are typical [2.2701 (12) and 2.2777 (12) Å], while the apical distances are considerably elongated [2.8505 (12) and 2.9415 (12) Å]. For each mol-ecule, a Cu(II) atom from inversion-related mol-ecules are in nearby proximity to the remaining axial Cu(II) sites, but the Cu⋯Cl distances are very long [3.4056 (12) and 3.1645 (12) Å], attributable to van der Waals contacts. Nonetheless, these contacts appear to have some structure-directing properties, leading to association into dimers. These dimers associate via stacking of the aromatic rings to form extended zigzag chains.

| S-EPMC4704757 | biostudies-literature

Di-μ-chlorido-bis-{[2-(2-pyridylmethyl-amino)ethanesulfonato-κN,N',O]copper(II)}.

Project description:In the title compound, [Cu(2)(C(8)H(11)N(2)O(3)S)(2)Cl(2)], the Cu atoms are five-coordinated in a distorted square-pyramidal geometry by three donor atoms of the deprotonated anionic 2-(2-pyridylmethyl-amino)ethanesulfonate (pmt) ligand and two Cl atoms. The Cl atoms bridge two Cu atoms, giving a binuclear structure; the centroid of the Cu(2)Cl(2) ring lies on a crystallographic center of inversion. The complex is stabilized by hydrogen bonds and π-π stacking inter-actions [average inter-planar distance = 3.4969 (1) Å and ring-centroid separation distance = 4.1068 (4) Å].

| S-EPMC2960365 | biostudies-literature

Di-μ-chlorido-bis-[chlorido(1,10-phenanthroline-κN,N')zinc(II)].

Project description:In the crystal structure of the title complex, [Zn(2)Cl(4)(C(12)H(8)N(2))(2)], each of the two five-coordinated Zn(II) atoms displays a strongly distorted trigonal-bipyramidal geometry defined by two N atoms from the chelate ligand and by one terminal and two bridging chloride anions. The crystal structure is stabilized by C-H⋯Cl inter-actions. There is inter-molecular π-π stacking between adjacent phenanthroline ligands, with a centroid-centroid distance of 3.151 (3) Å.

| S-EPMC2977612 | biostudies-literature

Crystal structure of bis-{?-2-[(di-methyl-amino)-meth-yl]ferrocene-seleno-lato}bis[chlorido-palladium(II)].

Project description:The dinuclear title compound, [PdCl{Se[(C5H5)Fe(C5H3)2CH2N(CH3)2]}]2 was obtained by the reaction of [PdCl2(NCPh)2] with 2-[(N,N'-di-methyl-amino)-meth-yl]ferro-cene-seleno-late and the crystals for the structure determination were grown from a mixture of THF and n-hexane. Both Pd(II) atoms are coordinated by the bridging Se atoms and by the amino N atoms of the bidentate 2-[(N,N'-di-methyl-amino)-meth-yl]ferrocene-seleno-late ligand, as well as by Cl atoms, and show a distorted square-planar coordination. The angle between the Pd-Se-Se planes of the two Pd atoms is 149.31?(3)°. Weak Cl?H hydrogen bonds link the binuclear complexes into a three-dimensional network.

| S-EPMC4257227 | biostudies-literature

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