research communications
Open access
Crystal structure of a NiII–thiosemicarbazone complex showing an unusual cis arrangement of the N,S-donor ligands and anagostic C—HNi interactions.
metal-organic compounds
Open access
In the title compound, [Ni(C15H14N3O2S)2], the NiII atom lies on a center of symmetry. The deprotonated ligands act as N,S-donors, forming five-membered metalla-rings. The NiII atom is four-coordinated in a slightly distorted square-planar environment. In the crystal, the discrete complex molecules are linked by weak N—HO hydrogen bonds, generating chains along [110]. The chains are further connected via weak O—HN interactions into a layered network extending parallel to (001).
metal-organic compounds
Open access
In the title compound, [Ni(NCS)2(C5H5N)2]n, the Ni2+ cation is coordinated by four thiocyanate anions (μ-1,3) and two pyridine ligands within a slightly distorted octahedral configuration. The Ni—N bond lengths to the pyridine rings are 2.1189 (17) and 2.1241 (17) Å, whereas those to the thiocyanate anions are 2.0299 (18) and 2.0359 Å. The Ni—S bond lengths are 2.5357 (6) and 2.5568 (6) Å. The Ni2+ cations are linked by N:S-bridging thiocyanate ligands into chains extending along [010]. The NiNi distance within the chains is 5.5820 (5) Å. The asymmetric unit contains two Ni2+ cations of which one is located on a centre of inversion, whereas the second is located on a general position.
organic compounds
Open access
The conformation of the title molecule, C17H17N3S, is stabilized by an intramolecular N—HN hydrogen bond involving the azometinic group. The dihedral angle between the two aromatic rings is 36.49 (06)°. The non-aromatic ring of the tetralone substituent adopts a sofa conformation. In the crystal, molecules are linked by pairs of N—HS hydrogen bonds related via centres of symmetry, forming dimers.
organic compounds
Open access
In the title compound, C15H15N3O2S, the central C—N—N—C unit has an anti conformation [torsion angle = −170.17 (15)°]. The phenyl substituent is oriented perpendicular to this unit [dihedral angle of 89.2 (1)°], whereas the substituted ring is rotated out of this plane by only 18.86 (17)°. In the crystal, molecules are linked by pairs of N—HS hydrogen bonds into inversion dimers that are further connected via N—HO and O—HS hydrogen bonds into a three-dimensional network.
organic compounds
Open access
There are two independent molecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent molecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first molecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N—N—C—N fragment make dihedral angles of 12.92 (14)° in the first independent molecule and 7.60 (13)° in the second. In the crystal, molecules are linked by weak N—HS hydrogen bonds into chains along the a-axis direction. The crystal packing ressembles a herringbone arrangement.
data reports
Open access
In the crystal structure of the title compound, [Zn(NCS)2(C12H10ClN)2], the Zn2+ cation is N-coordinated by two terminally bonded thiocyante anions and by two 4-(4-chlorobenzyl)pyridine ligands within a slightly distorted tetrahedron. The asymmetric unit consists of half of the discrete complex, the central Zn2+ cation of which is located on a twofold rotation axis. The discrete complexes are linked into layers via a weak intermolecular hydrogen-bonding interaction, with a HCl distance of 2.85 Å and a C—HCl angle of 151°. These layers extend parallel to the ab plane and are held together by dispersion forces only.
data reports
Open access
In the crystal structure of the polymeric title compound, [Mn(NCS)2(C10H8N2)]n, the MnII cations are coordinated by one chelating 2,2′-bipyridine ligand and four thiocyanate anions (two N- and two S-coordinating), forming a distorted [MnN4S2] octahedron. The asymmetric unit consists of one manganese cation located on a twofold rotation axis and half of a 2,2′-bipyridine ligand, the other half being generated by the same twofold rotation axis, as well as one thiocyanate anion in a general position. The MnII cations are linked by two pairs of μ1,3-bridging thiocyanate ligands into chains along the c axis; because the N atoms of the 2,2′-bipyridine ligands, as well as the N and the S atoms of the thiocyanate anions, are each cis-coordinating, these chains show a zigzag arrangement.
data reports
Open access
In the crystal structure of the title compound, [Cd(NCS)2(C9H13N)2]n, the CdII cations are coordinated in a slightly distorted octahedral geometry by one 3-tert-butylpyridine ligand, one 4-tert-butylpyridine ligand and two pairs of translationally-equivalent μ-1,3-bridging thiocyanate ligands, all of which are in general positions. These μ-1,3-bridging thiocyante anions bridge the CdII cations, forming chains that propagate parallel to the b axis.