In the title two-dimensional coordination polymer, [Cd(NCS)(2)(C(6)H(5)N(5))(2)](n), the Cd(II) ion (site symmetry ) is coordinated by two N atoms from two 2-(1H-1,2,3-triazol-1-yl)pyrazine ligands and two N and two S atoms from four thio-cyanate anions. The N-Cd bond lengths range from 2.323 (2) to 2.3655 (19) Å and the S-Cd bond length is 2.7117 (7) Å. The associated cisoid angles vary from 8...

In the title complex, [Cu(C(17)H(19)N(2)O(2))(NCS)], the Cu(II) atom is chelated by the phenolate O atom, the imine N atom and the amine N atom of the N,N',O-tridentate 2-eth-oxy-6-[(2-anilino-ethyl)-iminometh-yl]phenolate ligand, and by the N atom of a thio-cyanate anion, forming a distorted CuON(3) square-planar geometry. The dihedral angle between the aromatic rings of the ligand is 67.9 (4)...

The asymmetric unit of the title compound, [Zn(NCSe)(2)(C(4)H(4)N(2))(2)], consists of one Zn(II) cation, located on a twofold rotation axis, one seleno-cyanate anion and one pyridazine ligand in general positions. The Zn(II) atom is coordinated by two N-atoms of two pyridazine ligands and two terminal N-bonded seleno-cyanate anions within a slightly distorted tetra-hedral coordination environm...

In the mol-ecule of the title compound, [Hg(NCS)(2)(C(26)H(20)N(2))], the Hg(II) atom is four-coordinated in a distorted tetra-hedral configuration by two N atoms from a chelating 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline ligand and by two S atoms from two thio-cyanate anions. The ligand ring system is not planar. The dihedral angle between the phenyl rings is 53.20 (3)° . In the crystal st...

The crystal structure, rotational barriers and vibrational spectrum of ammonium cyanate have been studied by DFT calculations. The results show that, in the most stable structure, the ammonium ion is oriented such that each N H bond points towards the N atoms of a cyanate anion giving rise to N H N hydrogen bonding, rather than N H O hydrogen bonding. The N C and C O bond lengths suggest that t...

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 distort...

An efficient method for palladium-catalyzed cross-coupling of aryl chlorides and triflates with sodium cyanate is reported. The protocol allows for the synthesis of unsymmetrical N,N'-di- and N,N,N'-trisubstituted ureas in one pot and is tolerant of a wide range of functional groups. Insight into the mechanism of aryl isocyanate formation was gleaned through studies of the transmetalation and r...

The title ZnII complex, [Zn(NCS)2(C20H21N3)], has been characterized by synchrotron single-crystal diffraction and FT-IR spectroscopy. The central ZnII ion has a distorted square-pyramidal coordination geometry, with three N atoms of the chiral (S) 1-phenyl-N,N-bis-[(pyridin-2-yl)meth-yl]ethanamine (S-ppme) ligand and one N atom of a thio-cyanate anion in the equatorial plane, and one N atom of...

In the title compound, [Cu(NCS)(C(17)H(20)N(4))]BF(4), the Cu(II) ion is five-coordinated by the four N atoms of the tetra-dentate Schiff base ligand and one N atom of a thio-cyanate ligand, thereby forming a square-pyramidal CuN(5) ccoordination geometry. The dihedral angle between the pyridine rings of the Schiff base is 55.58 (14)°. The F atoms of the tetra-fluoridoborate anion are disordere...

The asymmetric unit of the title compound, [Cd(NCS)(2)(C(9)H(13)N)(4)], consists of one Cd(II) cation located on a centre of inversion, one thio-cyanate anion, one 3-tert-butyl-pyridine ligand and one 4-tert-butyl-pyridine ligand in general positions. The tert-butyl group of the 4-tert-butyl-pyridine ligand is disordered over two sets of sites in a 0.25:0.75 ratio and was refined using a split ...