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Catena-Poly[[bis-(thio-cyanato-?N)cobalt(II)]-di-?-thio-urea-?(4)S:S].

ABSTRACT: In the title polymeric complex, [Co(NCS)(2){SC(NH(2))(2)}(2)](n), the asymmetric unit comprises a Co(II) ion, which is situated on an inversion centre, an N-bound thio-cyanate anion and a ?(2)-bridging thio-urea mol-ecule. The Co(II) atom is coordinated in a distorted octa-hedral fashion within an N(2)S(4) donor set. The bridging thio-urea ligands link Co(II) ions into a polymeric chain extending along [100]. The mol-ecular conformation is stabilized by intra-molecular N-H?N hydrogen bonds, which generate S(6) ring motifs. The crystal packing is stabilized by N-H?S inter-actions, which connect the chains into a three-dimensional architecture.

SUBMITTER: Rajarajan K

PROVIDER: S-EPMC3414167 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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catena-Poly[[bis-(thio-cyanato-κN)cobalt(II)]-di-μ-thio-urea-κ(4)S:S].

Rajarajan K K Sendil Kumar K K Ramesh V V Shihabuddeen V V Murugavel S S

Acta crystallographica. Section E, Structure reports online 20120728 Pt 8

In the title polymeric complex, [Co(NCS)(2){SC(NH(2))(2)}(2)](n), the asymmetric unit comprises a Co(II) ion, which is situated on an inversion centre, an N-bound thio-cyanate anion and a μ(2)-bridging thio-urea mol-ecule. The Co(II) atom is coordinated in a distorted octa-hedral fashion within an N(2)S(4) donor set. The bridging thio-urea ligands link Co(II) ions into a polymeric chain extending along [100]. The mol-ecular conformation is stabilized by intra-molecular N-H⋯N hydrogen bonds, whic ...[more]

PMID: 22904774

Similar Datasets

catena-Poly[(E)-4,4'-(ethene-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-?N)ferrate(II)]-di-?-thio-cyanato-?N:S;?S:N]].

Project description:In the title compound, {(C(12)H(12)N(2))[Fe(NCS)(4)]}(n), each Fe(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in an octa-hedral coordination mode. The asymmetric unit consists of one Fe(II) cation, located on a center of inversion, as well as one protonated (E)-4,4'-(ethene-1,2-di-yl)dipyridinium dication and two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains extending along the a axis, in which two further thio-cyanate anions are only terminally bonded via nitro-gen. Non-coordinating (E)-4,4'-(ethene-1,2-di-yl)dipyrid-inium cations are found between the chains.

| S-EPMC2983361 | biostudies-literature

catena-Poly[(E)-4,4'-(ethane-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-κN)ferrate(II)]-di-μ-thio-cyanato-κN:S;κS:N]].

Project description:In the crystal structure of the title compound, {(C(12)H(14)N(2))[Fe(NCS)(4)]}(n), the iron(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in a distorted octa-hedral coordination mode. The asymmetric unit consists of half an iron(II) cation and half a protonated (E)-4,4'-(ethane-1,2-di-yl)dipyridinium dication, each located on a centre of inversion. In addition, there are two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains in which each iron(II) cation is additionally coordinated by two terminal N-bonded thio-cyanate anions. Non-coordinating dipyridinium dications are present between the thiocyanatoferrate(II) chains and are connected to the anions via N-H⋯N and N-H⋯S hydrogen-bond interactions.

| S-EPMC3246934 | biostudies-literature

catena-Poly[[diaqua-bis(thio-cyanato-?N)cobalt(II)]-?-4,4'-bipyridine-?N:N'] 4,4'-bipyridine solvate].

Project description:In the title complex, {[Co(NCS)(2)(C(10)H(8)N(2))(H(2)O)(2)]·C(10)H(8)N(2)}(n), the Co(II) ion is located on an inversion centre and is coordinated by two N atoms from the two 4,4'-bipyridine ligands, two O atoms from the water mol-ecule, and two N atoms from two isothio-cyanate ions in a distorted octa-hedral environment. In the crystal, the coordinated water mol-ecules, isothio-cyanate ions and solvent 4,4'-bipyridine mol-ecules are linked by O-H?S and O-H?N hydrogen bonds into layers parallel to the ab plane.

| S-EPMC2969491 | biostudies-literature

catena-Poly[[bis-(pyridine-?N)nickel(II)]-di-?-thio-cyanato-?(2) N:S;?(2) S:N].

Project description:In the title compound, [Ni(NCS)2(C5H5N)2] n , the Ni(2+) cation is coordinated by four thio-cyanate anions (?-1,3) and two pyridine ligands within a slightly distorted octa-hedral 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 Ni(2+) cations are linked by N:S-bridging thio-cyanate ligands into chains extending along [010]. The Ni?Ni distance within the chains is 5.5820?(5)?Å. The asymmetric unit contains two Ni(2+) cations of which one is located on a centre of inversion, whereas the second is located on a general position.

| S-EPMC4051106 | biostudies-literature

catena-Poly[[bis-(thio-cyanato-?N)iron(II)]-bis-(?-dipyrazin-2-yl di-sulfide-?(2) N (4):N (4'))].

Project description:In the title compound, [Fe(NCS)2(C8H6N4S2)2] n , the Fe(II) cation is coordinated by two terminal N-bonded thio-cyanate anions and four bridging N:N'-bridging dipyrazin-2-yl di-sulfide ligands in an octa-hedral geometry. The Fe(II) cations are connected via bridging 4,4'-di-pyrazine ligands into chains along the b-axis direction. The asymmetric unit consists of one Fe(II) cation located on position with site symmetry 2/m, one thio-cyanate anion located on a mirror plane and one di-sulfide ligand located on a twofold rotation axis.

| S-EPMC3884442 | biostudies-literature

catena-Poly[[[bis-(thio-urea-?S)cadmium]-di-?-thio-cyanato-?(2)N:S;?(2)S:N] dihydrate].

Project description:The title compound, {[Cd(NCS)(2)(CH(4)N(2)S)(2)]·2H(2)O}(n), forms a one-dimensional chain parallel to the a axis, caused by the presence of the bridging thio-cyanate groups. Two solvent mol-ecules per complex are present in the lattice. The Cd(II) ion is situated on an inversion centre and is coordinated in a distorted octa-hedral fashion by two N and two S atoms from four thio-cyanate ligands and by two S atoms from two thio-urea mol-ecules. Weak O-H?S, N-H?O and N-H?N inter-actions reinforce the structure.

| S-EPMC3414119 | biostudies-other

Crystal structure of di-ethano-lbis(thio-cyanato)-bis(urotropine)cobalt(II) and tetra-ethano-lbis(thio-cyanato)-cobalt(II)-urotropine (1/2).

Project description:The reaction of one equivalent Co(NCS)2 with four equivalents of urotropine (hexa-methyl-ene-tetra-mine) in ethanol leads to the formation of two compounds, namely, bis-(ethanol-κO)bis-(thio-cyanato-κN)bis-(urotropine-κN)cobalt(II), [Co(NCS)2(C6H12N4)2(C2H6O)2] (1), and tetra-kis-(ethanol-κO)bis-(thio-cyanato-κN)cobalt(II)-urotropine (1/2), [Co(NCS)2(C2H6O)4]·2C6H12N4 (2). In 1, the Co cations are located on centers of inversion and are sixfold coordinated by two terminal N-bonded thio-cyanate anions, two ethanol and two urotropine ligands whereas in 2 the cobalt cations occupy position Wyckoff position c and are sixfold coordinated by two anionic ligands and four ethanol ligands. Compound 2 contains two additional urotropine solvate mol-ecules per formula unit, which are hydrogen bonded to the complexes. In both compounds, the building blocks are connected via inter-molecular O-H⋯N (1 and 2) and C-H⋯S (1) hydrogen bonding to form three-dimensional networks.

| S-EPMC8739191 | biostudies-literature

catena-Poly[[bis-(pyridine-κN)cadmium]-di-μ(2)-thio-cyanato-κN:S;κS:N].

Project description:The asymmetric unit of the title compound, [Cd(NCS)(2)(C(5)H(5)N)(2)](n), consists of two crystallographically independent Cd(II) cations, four thio-cyanato anions and four pyridine ligands. The Cd(II) atoms are each coordinated by four N atoms from two pyridine ligands and two thio-cyanato anions, each in a mutually cis orientation, and by two S atoms from two adjacent thio-cyanato anions within a slightly distorted octa-hedral coordination environment. The Cd(II) atoms are μ-1,3-bridged via the thio-cyanato anions into polymeric chains parallel to [001]. The Cd(II)⋯Cd(II) intra-chain separations range between 5.9688 (6) and 6.0195 (6) Å, whereas the shortest Cd(II)⋯Cd(II) inter-chain separations are 7.8272 (7) and 8.6312 (6) Å.

| S-EPMC3099960 | biostudies-literature

Crystal structure of bis-(thio-cyanato-?S)bis-(thio-urea-?S)mercury(II).

Project description:In the title complex, [Hg(NCS)2(CH4N2S)2], the Hg(II) atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thio-cyanate groups and two thio-urea groups. The S-Hg-S angles are 172.02?(9)° for the trans-thio-cyanate S atoms and 90.14?(5)° for the cis-thio-urea S atoms. The mol-ecular structure is stabilized by an intra-molecular N-H?S hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by a number of N-H?N and N-H?S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966 ?). Rocz. Chem. 40, 547-569] with an extremely high R factor of 17.2%, and no mention of how the data were collected.

| S-EPMC4384628 | biostudies-literature

Crystal structure of bis-(N,N'-di-methyl-thio-urea-κS)bis-(thio-cyanato-κN)cobalt(II).

Project description:During systematic investigations on the synthesis of coordination polymers with Co(NCS)2 involving different thio-urea derivatives as coligands, crystals of the title compound Co(NCS)2(N,N'-di-methyl-thio-urea)2, or [Co(C3H8N2S)2(NCS)2], were obtained. These crystals were non-merohedric twins and therefore, a twin refinement using data in HKLF-5 format was performed. In the crystal structure of this compound, the CoII cations are coordinated by two N-terminally bonded thio-cyanate anions as well as two S-bonding N,N'-di-methyl-thio-urea mol-ecules, forming two crystallographically independent discrete complexes each with a strongly distorted tetra-hedral geometry. An intricate network of inter-molecular N-H⋯S and C-H⋯S hydrogen bonds can be found between the complexes. The thermogravimetric curve of the title compound shows two discrete steps in which all coligand mol-ecules have been emitted, which is also accompanied by partial decomposition of the cobalt thio-cyanate. If the measurement is stopped after the first mass loss, only broad reflections of CoS can be found in the XRPD pattern of the residue, which proves that this compound decomposes completely upon heating. However, at lower temperatures an endothermic signal can be found in the DTA and DSC curve, which corresponds to melting, as proven by thermomicroscopy.

| S-EPMC7472772 | biostudies-literature

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