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Poly[bis-(?2-1,3-phenyl-enedi-amine-?(2) N:N')di-?-thio-cyanato-?(2) N:S;?(2) S:N-cadmium].

ABSTRACT: The structure of the title polymeric compound, [Cd(SCN)2(C6H8N2)2] n , exhibits a two-dimensional staircase-like structure parallel to (010) in which the Cd(II) atom lies on a twofold rotation axis and has a distorted octa-hedral CdS2N4 geometry involving four ?-1,3-(SCN) group donors and two N-atom donors from 1,3-phenyl-enedi-amine ligands, which also have twofold symmetry. The major contributions to the cohesion and the stability of this two-dimensional polymeric structure are the covalent Cd-S,N bonds and one weak intra-layer N-H?S hydrogen bond.

SUBMITTER: Chemli R

PROVIDER: S-EPMC3885002 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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Poly[bis-(μ2-1,3-phenyl-enedi-amine-κ(2) N:N')di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N-cadmium].

Chemli Rakia R Kamoun Slaheddine S Roisnel Thierry T

Acta crystallographica. Section E, Structure reports online 20131120 Pt 12

The structure of the title polymeric compound, [Cd(SCN)2(C6H8N2)2] n , exhibits a two-dimensional staircase-like structure parallel to (010) in which the Cd(II) atom lies on a twofold rotation axis and has a distorted octa-hedral CdS2N4 geometry involving four μ-1,3-(SCN) group donors and two N-atom donors from 1,3-phenyl-enedi-amine ligands, which also have twofold symmetry. The major contributions to the cohesion and the stability of this two-dimensional polymeric structure are the covalent Cd ...[more]

PMID: 24454177

Similar Datasets

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

Di-?-thio-cyanato-?N:S;?S:N-bis-[bis-(2-methyl-1H-benzimidazole-?N)(thio-cyanato-?N)cadmium(II)].

Project description:The title compound, [Cd(2)(NCS)(4)(C(8)H(8)N(2))(4)], is a centrosymmetric dinuclear cadmium(II) complex in which each two metal ions are linked by a pair of thio-cyanate N:S-bridges. Two 2-methyl-benzimidazole N-atom donors and one terminal thio-cyanate N atom complete a highly distorted square-pyramidal geometry around the Cd atom. In the crystal structure, two N-H?S hydrogen-bonding inter-actions occur, resulting in a three-dimensional polymeric structure. The apical 2-methyl-benzimidazole ring and its symmetry-related counterpart are arranged in an anti-parallel manner with a centroid-centroid separation of 3.6050?(14)?Å, indicative of a ?-? inter-action.

| S-EPMC3009005 | biostudies-literature

Bis(di-2-pyridyl-amine-?N,N')bis-(thio-cyanato-?N)nickel(II).

Project description:The mononuclear neutral title complex, [Ni(NCS)(2)(C(10)H(9)N(3))(2)], shows a cis-octa-hedral geometry around the Ni(II) ion, formed by two chelating di-2-pyridyl-amine (Hdpa) ligands and two thio-cyanate anions. Both amine H atoms are involved in N-H?S hydrogen bonding, resulting in the formation of layers of inter-linked mol-ecules parallel to the ab plane, which are further held together by weak ?-? inter-actions between adjacent complexes, involving one ring of each dipyridyl-amine unit [centroid-centroid distance = 3.777?(4)?Å], forming a three-dimensional assembly.

| S-EPMC3238757 | biostudies-literature

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

Project description: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.

| S-EPMC3414167 | biostudies-literature

catena-Poly[[di-μ-chlorido-bis-{[6-methoxy-2-(4-methyl-phenyl-iminio-methyl)phenolato-κO,O']cadmium(II)}]-di-μ(2)-thio-cyanato-κN:S;κS:N].

Project description:The asymmetric unit of the title compound, [Cd(2)Cl(2)(NCS)(2)(C(15)H(15)NO(2))(2)](n), contains the Schiff base 2-[(4-methyl-phenyl-imino)meth-yl]-6-methoxy-phenol (HL) ligand, one thio-cyanate and one chloride ligand coordinated to a cadmium centre. The cadmium centers are linked to each other via two thio-cyanate and two chloride bridges alternately, resulting in centrosymmetric zigzag chains running parallel to the a axis. The Cd(II) coordination environment contains two Cl atoms, one thio-cyanate (SCN) S atom, one isothio-cyanate (NCS) N atom and two O atoms from the HL ligand. The Schiff base ligand is in the trans conformation.

| S-EPMC2959993 | biostudies-literature

Poly[bis-[μ-1,3-bis-(diphenyl-phosphan-yl)propane-κP:P']-di-μ-thio-cyanato-κS:N;κN:S-disilver(I)].

Project description:In the title coordination polymer, [Ag(2)(NCS)(2)(C(27)H(26)P(2))(2)](n), two centrosymmetrically related Ag(+) cations are linked by two thio-cyanate anions into binuclear eight-membered macrocycles. The Ag⋯Ag separation within the macrocycle is 5.4400 (6) Å. The distorted tetra-hedral coordination about each metal atom is completed by the P atoms of two bridging 1,3-bis-(diphenyl-phosphan-yl)propane ligands, forming polymeric ribbons parallel to the a axis.

| S-EPMC3246955 | biostudies-literature

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

Crystal structure of [1,3-bis-(di-phenyl-phosphan-yl)propane-κ(2) P,P'](N,N'-di-methyl-thio-urea-κS)(thio-cyanato-κN)copper(I).

Project description:The asymmetric unit of the title compound, [Cu(NCS)(C3H8N2S)(C27H26P2)], contains two independent mononuclear complex mol-ecules. In each, the Cu(I) ion exhibits a distorted tetra-hedral geometry by coordination with two P atoms from one 1,3-bis(diphenylphosphino)propane (dppm) ligand, one terminal S atom of one N,N'-di-methyl-thio-urea (dmtu) ligand and one terminal N atom of the thio-cyanato ligand. The dppp ligand is involved in a bidentate coordination mode with the Cu(I) ion, forming a six-membered CuP2C3 ring. In both mol-ecules, the coordination of the dmtu ligand is further stabilized by an intra-molecular N-H⋯N hydrogen bond with an S(6) graph-set motif. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds forming a zigzag chain along the a-axis direction. In one independent mol-ecule, one of the phenyl rings of the dppp ligand is disordered over two sites with refined occupancies 0.639 (11):0.361 (11) and this corresponds with a mutual disorder of the dmtu ligand in the other independent mol-ecule giving the same ratio of refined occupancies. The structure was refined as a two-component inversion twin.

| S-EPMC4350702 | 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

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

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