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(Piperazin-1-ium-?N)tris-(thio-cyanato-?N)zinc(II).

ABSTRACT: Hydro-thermal reaction of NaSCN, piperazine, Zn(II) and 2,6-naphthalenedicarboxylic acid in aqueous solutions gave rise to the title complex, [Zn(NCS)(3)(C(4)H(11)N(2))]. The Zn(II) atom is four-coordinate with distorted tetra-hedral geometry and lies in a mirror plane. N-H?S hydrogen bonds assemble the mol-ecules to form a three-dimensional framework.

SUBMITTER: He X

PROVIDER: S-EPMC2915073 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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(Piperazin-1-ium-κN)tris-(thio-cyanato-κN)zinc(II).

He Xiang X Liu Hong-Jiang HJ Li Ming-Xing MX

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

Hydro-thermal reaction of NaSCN, piperazine, Zn(II) and 2,6-naphthalenedicarboxylic acid in aqueous solutions gave rise to the title complex, [Zn(NCS)(3)(C(4)H(11)N(2))]. The Zn(II) atom is four-coordinate with distorted tetra-hedral geometry and lies in a mirror plane. N-H⋯S hydrogen bonds assemble the mol-ecules to form a three-dimensional framework. ...[more]

PMID: 21200481

Similar Datasets

Crystal structure of bis-(piperazin-1-ium-?N4)bis-(thio-sulfato-?S)zinc(II) dihydrate.

Project description:In the title compound, [Zn(C4H11N2)2(S2O3)2]·2H2O, two thio-sulfate ions coordinate to the zinc(II) atom through the terminal S atoms. The tetra-hedral coordination around the ZnII ion is completed by ligating to two N atoms of two piperazinium ions. The remaining two N atoms of the piperazinium ions are diprotonated and do not coordinate to the metal centre. In the crystal, however, they are involved in N-H?Owater and N-H?Osulfato hydrogen bonds. Together, a series of N-H?O and O-H?O hydrogen bonds, involving the O atoms of the thio-sulfate ions and the water mol-ecules as acceptors and the hydrogen atoms of the piperazinium ions and the water mol-ecules as donors, form a three-dimensional supra-molecuar structure. Within this framework there are a number of intra- and inter-molecular C-H?O and C-H?S contacts present.

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Bis(2-chloro-1,10-phenanthroline-κN,N')(thio-cyanato-κN)zinc (2-chloro-1,10-phenanthroline-κN,N')tris-(thio-cyanato-κN)zincate.

Project description:The asymmetric unit of the title compound, [Zn(NCS)(C(12)H(7)ClN(2))(2)][Zn(NCS)(3)(C(12)H(7)ClN(2))], contains two cations and two anions. In the cations, the Zn(II) ions have distorted trigonal-bipyramidal environments formed by four N atoms from two 2-chloro-1,10-phenanthroline (cphen) ligands and one N atom from a thio-cyanate ligand. The Zn(II) atoms in the complex anions also have distorted trigonal-bipyramidal environments, formed by two N atoms from a cphen ligand and three N atoms from three thio-cyanato ligands. The crystal packing exhibits π-π inter-actions between the rings of the cphen ligands [shortest centroid-centroid distance = 3.586 (5) Å] and short inter-molecular S⋯Cl [3.395 (5) Å] and S⋯S [3.440 (4) Å] contacts.

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(Thio-cyanato-?S)-tris-(thio-urea-?S)mercury(II) chloride.

Project description:In the title salt, [Hg(NCS)(CH4N2S)3]Cl, the Hg(2+) ion is coordinated in a severely distorted tetra-hedral manner by three thio-urea groups and one thio-cyanate anion through their S atoms. The S-Hg-S angles vary widely from 87.39?(5) to 128.02?(4)°. Weak intra-molecular N-H?S hydrogen bonds are observed, which form S(6) ring motifs. In the crystal, the ions are linked by N-H?N and weak N-H?Cl inter-actions, generating a three-dimensional network.

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(Tetra-oxidoselenato-?O)tris-(thio-urea-?S)zinc(II).

Project description:The title structure, [Zn(SeO(4))(CH(4)N(2)S)(3)], is isomorphous with sulfatotris(thio-urea)zinc(II). In both structures, the Zn(2+) cation is coordinated in a tetra-hedral geometry. The corresponding intra-molecular distances are quite similar except for the Se-O and S-O distances. Although the hydrogen-bonding patterns are similar, there are some differences; in the title structure all the H atoms are involved in the hydrogen-bond pattern, in contrast to the situation in sulfatotris(thio-urea)zinc(II). No reproducible anomalies were detected by differential scanning calorimetry in the range 93-463?K until decomposition started at the higher temperature.

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Tetra-ethyl-ammonium tris-(thio-cyanato-?N)[tris-(1H-pyrazol-1-yl-?N(2))methane]-nickelate(II).

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Tris(thio-cyanato-?N)tris-(triphenyl-phosphine oxide-?O)terbium(III).

Project description:The title compound, [Tb(NCS)3(C18H15OP)3], contains a six-coordinate Tb(II) cation surrounded by three O-bound triphenyl-phosphine oxide ligands and three N-bound thio-cyanate ligands, each in a fac arrangement. There are two crystallographically unique Tb(III) atoms in the asymmetric unit. One Tb(III) atom resides on a threefold rotation axis, while the other has no imposed crystallographic symmetry. The thio-cyanate ligands are bound through N atoms, illustrating the hard-hard bonding principles of metal complex chemistry.

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Crystal structures of tetra-kis-(pyridine-4-thio-amide-?N)bis-(thio-cyanato-?N)cobalt(II) monohydrate and bis-(pyridine-4-thio-amide-?N)bis-(thio-cyanato-?N)zinc(II).

Project description:Reaction of Co(NCS)2 and Zn(NCS)2 with 4-pyridine-thio-amide led to the formation of compounds with composition [Co(NCS)2(C6H6N2S)4]·H2O (1) and [Zn(NCS)2(C6H6N2S)2] (2), respectively. The asymmetric unit of compound 1, consists of one cobalt(II) cation, two thio-cyanate anions, four 4-pyridine-thio-amide ligands and one water mol-ecule whereas that of compound 2 comprises one zinc(II) cation that is located on a twofold rotation axis as well as one thio-cyanate anion and one 4-pyridine-thio-amide ligand in general positions. In the structure of compound 1, the cobalt(II) cations are octa-hedrally coordinated by two terminal N-bonding thio-cyanate anions and by the N atoms of four 4-pyridine-thio-amide ligands, resulting in discrete and slightly distorted octa-hedral complexes. These complexes are linked into a three-dimensional network via inter-molecular N-H?S hydrogen bonding between the amino H atoms and the thio-cyanate S atoms. From this arrangement, channels are formed in which the water mol-ecules are embedded and linked to the host structure by inter-molecular O-H?S and N-H?O hydrogen bonding. In the structure of compound 2, the zinc(II) cations are tetra-hedrally coordinated by two N-bonding thio-cyanate anions and the N atoms of two 4-pyridine-thio-amide ligands into discrete complexes. These complexes are likewise connected into a three-dimensional network by inter-molecular N-H?S hydrogen bonding between the amino H atoms and the thio-amide S atoms.

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Bis(2-amino-benzothia-zole-κN)bis-(thio-cyanato-κN)zinc(II).

Project description:The Zn(II) ion in the title complex, [Zn(NCS)(2)(C(7)H(6)N(2)S)(2)], is tetra-hedrally coordinated within an N(4) donor set defined by two N atoms of two terminal isothio-cyanate ligands and by two heterocyclic N atoms of two different 2-amino-benzothia-zole ligands. This arrangement is stabilized by intra-molecular N-H⋯N hydrogen bonds. In the crystal structure, mol-ecules are linked through N-H⋯S hydrogen bonds to form a two-dimensional array.

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Bis-(thio-cyanato-?N)[tris(pyridin-2-yl-meth-yl)amine-?(4) N]-iron(II).

Project description:In the title complex, [Fe(NCS)2(C18H18N4)], the Fe(II) cation is chelated by a tris-(2-pyridyl-meth-yl)amine ligand and coordin-ated by two thio-cyanate anions in a distorted N6 octa-hedral geometry. In the crystal, weak C-H?S hydrogen bonds and ?-? stacking inter-actions between parallel pyridine rings of adjacent mol-ecules [centroid-centroid distance = 3.653?(3)?Å] link the mol-ecules into a two-dimensional supra-molecular architecture. The structure contains voids of 124?(9)?Å(3), which are free of solvent molecules.

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(2-Meth-oxy-1,10-phenanthroline-?N,N')bis-(thio-cyanato-?N)zinc(II).

Project description:In the title complex, [Zn(NCS)(2)(C(13)H(10)N(2)O)], the Zn(II) ion is in a distorted tetra-hdral ZnN(2)Cl(2) coordination environment. In the crystal structure, there is a weak ?-? stacking inter-action between adjacent 1,10-phenanthroline rings, with a pyridine centroid-centroid distance of 3.6620?(15)?Å.

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