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Crystal structure of pyridinium tetra-iso-thio-cyanato-dipyridine-chromium(III) pyridine monosolvate.

ABSTRACT: In the crystal structure of the title compound, (C₅H₆N)[Cr(NCS)₄(C₅H₅N)₂]·C₅H₅N, the Cr^III ions are octa-hedrally coordinated by four N-bonding thio-cyanate anions and two pyridine ligands into discrete negatively charged complexes, with the Cr^III ion, as well as the two pyridine ligands, located on crystallographic mirror planes. The mean planes of the two pyridine ligands are rotated with respect to each other by 90°. Charge balance is achieved by one protonated pyridine mol-ecule that is hydrogen bonded to one additional pyridine solvent mol-ecule, with both located on crystallographic mirror planes and again rotated by exactly 90°. The pyridinium H atom was refined as disordered between both pyridine N atoms in a 70:30 ratio, leading to a linear N-H⋯N hydrogen bond. In the crystal, discrete complexes are linked by weak C-H⋯S hydrogen bonds into chains that are connected by additional C-H⋯S hydrogen bonding via the pyridinium cations and solvent mol-ecules into layers and finally into a three-dimensional network.

SUBMITTER: Neumann T

PROVIDER: S-EPMC6895946 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Pyridinium bis-(pyridine-?N)tetra-kis-(thio-cyanato-?N)ferrate(III).

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| S-EPMC3684869 | biostudies-other

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Project description:The title compound, (C(10)H(9)N(2))[Cr(C(7)H(3)NO(4))(2)]·4H(2)O or (4,4'-bipyH)[Cr(pydc)(2)]·4H(2)O (where 4,4'-bipy is 4,4'-bipyridine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of chromium(III) chloride hexa-hydrate with pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine in a 1:2:4 molar ratio in aqueous solution. This compound is composed of an anionic complex, [Cr(pydc)(2)](-), protonated 4,4'-bipyridine as a counter-ion, (4,4'-bipyH)(+), and four uncoordinated water mol-ecules. The anion is a six-coordinate complex with a distorted octa-hedral geometry around the Cr(III) atom, formed by two tridentate pyridine-2,6-dicarboxyl-ate, pydc(2-), groups. Inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and C-O⋯π stacking inter-actions (with distances of 3.3390 (13) and 3.4575 (13) Å) connect the various components into a supra-molecular structure.

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Bis[4-(dimethyl-amino)-pyridinium] bis-[4-(dimethyl-amino)-pyridine-?N (1)]tetra-kis-(thio-cyanato-?N)manganate(II).

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Crystal structure of octa-kis-(4-meth-oxy-pyridinium) bis-(4-meth-oxy-pyridine-?N)tetra-kis-(thio-cyanato-?N)ferrate(III) bis-[(4-meth-oxypyri-dine-?N)pentakis-(thio-cyanato-?N)ferrate(III)] hexa-kis-(thio-cyanato-?N)ferrate(III) with iron in three different octa-hedral coordination environments.

Project description:The crystal structure of the title salt, (C6H8NO)8[Fe(NCS)4(C6H7NO)2][Fe(NCS)5(C6H7NO)]2[Fe(NCS)6], comprises three negatively charged octa-hedral FeIII complexes with different coordination environments in which the FeIII atoms are coordinated by a different number of thio-cyanate anions and 4-meth-oxy-pyridine ligands. Charge balance is achieved by 4-meth-oxy-pyridinium cations. The asymmetric unit consists of three FeIII cations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thio-cyanate anions, two 4-meth-oxy-pyridine ligands and 4-meth-oxy-pyridinium cations (one of which is disordered over two sets of sites). Beside to Coulombic inter-actions between organic cations and the ferrate(III) anions, weak N-H?S hydrogen-bonding inter-actions involving the pyridinium N-H groups of the cations and the thio-cyanate S atoms of the complex anions are mainly responsible for the cohesion of the crystal structure.

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Crystal structure of bis-[trans-(1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4) N)bis-(thio-cyanato-?N)chromium(III)] tetra-chlorido-zincate from synchrotron data.

Project description:The structure of the title compound, [Cr(NCS)2(cyclam)]2[ZnCl4] (cyclam = 1,4,8,11-tetra-aza-cyclo-tetra-decane, C10H24N4), has been determined from synchrotron data. The asymmetric unit contains two independent halves of the Cr(III) complex cations and half of a tetra-chlorido-zincate anion. In each complex cation, the Cr(III) atom is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and by two N-bound NCS(-) anions in a trans axial arrangement, displaying a distorted octa-hedral geometry with crystallographic inversion symmetry. The mean Cr-N(cyclam) and Cr-N(NCS) bond lengths are 2.065?(4) and 1.995?(6)?Å, respectively. The macrocyclic cyclam moieties adopt centrosymmetric trans-III configurations with six- and five-membered chelate rings in chair and gauche configurations, respectively. The [ZnCl4](2-) anion, which lies about a twofold rotation axis, has a slightly distorted tetra-hedral geometry. The crystal packing is stabilized by hydrogen-bonding inter-actions between the N-H groups of the cyclam ligands, the S atoms of the NCS(-) groups and the Cl(-) ligands of the anion.

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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.

| S-EPMC5956324 | biostudies-literature

trans-Chloridobis-(ethane-1,2-di-amine-?(2) N,N')(thio-cyanato-?N)cobalt(III) diammine-tetra-kis-(thio-cyanato-?N)cromate(III).

Project description:The title ionic complex [CoCl(NCS)(C2H8N2)2][Cr(NCS)4(NH3)2], which crystallizes as a non-merohedral twin, is build up of a complex cation [CoCl(NCS)(en)2](+) (en is ethane-1,2-di-amine) and the Reinecke's salt anion [Cr(NCS)4(NH3)2](-) as complex counter-ion. A network of N-H?S and N-H?Cl hydrogen bonds, as well as short S?S contacts [3.538?(2) and 3.489?(3)?Å], between the NCS groups of the complex anions link the mol-ecules into a three-dimentional supra-molecular network. Intensity statistic indicated twinning by non-mero-hedry with refined weighs of twin components are 0.5662:0.4338.

| S-EPMC3998491 | biostudies-literature

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