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[2-(1-{2-[Aza-nid-yl(ethyl-sulfan-yl)methyl-idene-?N]hydrazin-1-yl-idene-?N¹}eth-yl)phenolato-?O](pyridine-?N)nickel(II).

ABSTRACT: The Ni(II) atom in the title complex, [Ni(C??H??N?OS)(C?H?N)], exists within a square-planar N?O donor set provided by N,N',O atoms of the dianionic tridentate ligand and a pyridine N atom. The maximum deviation from the ideal geometry is seen in the N-Ni-N five-membered chelate bite angle of 83.28?(12)°. The pyridine mol-ecule forms a dihedral angle of 44.43?(6)° with the N?O donor set. Supra-molecular stacks along the a axis mediated by alternating ?-? inter-actions between the pyridine and five- [centroid-centroid distance = 3.4784?(16)?Å] and six-membered [3.4633?(17)?Å] chelate rings, feature in the crystal packing.

PROVIDER: S-EPMC3393181 | BioStudies |

REPOSITORIES: biostudies

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Chlorido{4-cyclo-hexyl-1-[1-(pyridin-2-yl-?N)ethyl-idene]thio-semicarbazidato-?(2)N(1),S}diphenyl-tin(IV).

Project description:The distorted octa-hedral geometry about the Sn(IV) atom in the title compound, [Sn(C(6)H(5))(2)(C(14)H(19)N(4)S)Cl], is defined by the N,N,S-tridentate Schiff base ligand, two mutually trans ipso-C atoms of the Sn-bound phenyl groups, and the Cl atom which is trans to the azo N atom. The two five-membered chelate rings and pyridyl ring are almost coplanar with the dihedral angle between the outer five-membered chelate and pyridine rings being 5.39?(8)°. Centrosymmetric dimers feature in the crystal packing mediated by N-H?S hydrogen bonds, leading to eight-membered {?HNCS}(2) synthons. The dimeric aggregates are connected into a three-dimensional architecture by C-H?Cl and C-H?? inter-actions, as well as ?-? inter-actions occurring between centrosymmetrically related pyridine rings [centroid-centroid distance = 3.6322?(13)?Å].

2012-01-01 | S-EPMC3343835 | BioStudies

(E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-yl-methyl-idene)amino]-pyrimidine-2,4(1H,3H)-dione.

Project description:In the title compound, C(12)H(13)N(5)O(2), a Schiff-base-derived chelate ligand, the non-aromatic heterocycle and its substituents essentially occupy one common plane (r.m.s. of fitted non-H atoms = 0.0503?Å). The N=C bond is E-configured. Intra-cyclic angles in the pyridine moiety cover the range 117.6?(2)-124.1?(2)°. Intra- and inter-molecular N-H?N and N-H?O hydrogen bonds are observed in the crystal structure, as are intra- and inter-molecular C-H?O contacts which, in total, connect the mol-ecules into a three-dimensional network. The shortest ring-centroid-to-ring-centroid distance of 3.5831?(14)?Å is between the two different types of six-membered rings.

| S-EPMC3200715 | BioStudies

Poly[[?(2)-(1Z,N'E)-2-(1,3-benzothia-zol-2-ylsulfan-yl)-N'-(2-oxidobenzyl-idene-?O:O)acetohydrazidato-?O,N'](pyridine-?N)copper(II)].

Project description:In the title compound, [Cu(C(16)H(11)N(3)O(2)S(2))(C(5)H(5)N)](n), the Cu(II) atom displays a square-pyramidal CuN(2)O(3) coordination geometry with strong elongation in the vertex direction. The hydrazone mol-ecule is coordinated to the Cu(II) atom in a tridentate manner in the enolic form, creating five- and six-membered chelate metallarings. The pyridine mol-ecule completes the square-planar base of the copper coordination environment. The crystal structure displays zigzag polymeric Cu-O-Cu chains along [001]. Several weak ?-? inter-actions between benzothia-zole rings were found in the same direction [centroid-centroid distances = 3.7484?(16), 3.7483?(16), 3.6731?(17) and 3.7649?(17)?Å].

| S-EPMC3050211 | BioStudies

Bis{(Z)-[(E)-2-(pyridin-2-yl-methyl-idene)hydrazin-1-yl-idene][(pyridin-2-yl)methyl-sulfan-yl]methane-thiol-ato}nickel(II).

Project description:The title compound, [Ni(C13H11N4S2)2], was obtained by the reaction of S-2-picolyldi-thio-carbazate and pyridine-2-carbaldehyde with nickel(II) acetate. The Ni(II) atom is located on a twofold rotation axis and is bonded to four N atoms at distances of 2.037?(8) and 2.109?(9)?Å, and to two S atoms at a distance of 2.406?(3)?Å, leading to a distorted octa-hedral coordination. The angle between the mean planes of the coordinating moieties of the two symmetry-related tridentate ligands is 83.3?(2)°. In the crystal, complex mol-ecules are linked by weak C-H?S hydrogen bonds, ?-? inter-actions between the pyridine rings [centroid-centroid distance = 3.775?(9)?Å] and C-H?? inter-actions. The hydrogen-bonding inter-actions lead to the formation of layers parallel to (010); ?-? inter-actions link these layers into a three-dimensional network.

2013-01-01 | S-EPMC3684885 | BioStudies

Bis{1-[2-(diphenyl-phosphan-yl)eth-yl]-3-ethyl-imidazol-2-yl-idene}nickel(II) diiodide acetonitrile disolvate.

Project description:The mol-ecular structure of the title compound, [Ni(C(19)H(21)N(2)P)(2)]I(2)·2CH(3)CN, shows two six-membered N-heterocyclic carbene/phosphane chelate rings that form a nearly square-planar coordination geometry around the Ni(II) atom, which lies 0.190?(1)?Å above the C(2)P(2) plane. The sum of the bond angles at the Ni(II) atom is 358.68?(6)°, with C-Ni-P bite angles of 82.89?(5) and 84.08?(6)°. The two carbene rings make a dihedral angle of 52.65?(8)°.

2012-01-01 | S-EPMC3393226 | BioStudies

(E)-2-{2-tert-Butyl-6-[2-(4-hy-droxy-phen-yl)ethen-yl]-1-propyl-1,4-dihydro-pyridin-4-yl-idene}indane-1,3-dione.

Project description:The title compound, C(29)H(29)NO(3), the nearly planar nine-membered indanedione ring [maximum deviation = 0.027?(2)?Å] is located approximately parallel to its carrier pyridine ring [maximum deviation = 0.021?(2)?Å] with a dihedral angle of 1.8?(1)° between the planes. However, because of steric hindrance, the benzene ring [maximum deviation = 0.006?(2)?Å] is not parallel to the pyridine ring [dihedral angle = 37.29?(8)°]. The mol-ecules display numerous inter-molecular ?-? inter-actions between the five- and six-membered rings, the shortest centroid-centroid distance being 3.796?(2)?Å. There are inter- and intra-molecular O-H?O and C-H?O hydrogen bonds.

| S-EPMC3050276 | BioStudies

2-(1-Propyl-2,6-distyryl-1,4-dihydro-pyridin-4-yl-idene)malononitrile.

Project description:In the title compound, C(27)H(23)N(3), the dihedral angles between the central pyridine ring and the two outer benzene rings are 32.6?(1) and 52.0?(1)°. The compound displays inter-molecular ?-? inter-actions between adjacent six-membered rings, the shortest centroid-centroid distance being 3.981?(3)?Å.

2009-01-01 | S-EPMC2971777 | BioStudies

Dichlorido{N-[(5-methyl-thio-phen-2-yl)methyl-idene]-2-(pyridin-2-yl)ethanamine-?(2) N,N'}palladium(II).

Project description:In the title compound, [PdCl2(C13H14N2S)], the Pd(II) ion is coordinated by two N atoms of the chelating bidentate ligand and two chloride anions, giving rise to a distorted square-planar geometry. The methyl-substituted thio-phene arm and the pyridine ring are connected to the metal cation through N atoms to form a six-membered chelate ring with a boat conformation, making the complex stable.

| S-EPMC3588236 | BioStudies

Di-?-chlorido-bis-{chlorido[2-(2-furyl-methyl-imino-meth-yl)pyridine-?N,N']nickel(II)}.

Project description:The title dinuclear nickel(II) complex, [Ni(2)Cl(4)(C(11)H(10)N(2)O)(2)], lies on a centre of symmetry located at the centroid of the four-membered ring formed by the two Ni atoms and the bridging chloride ions. The Ni(II) atom is five-coordinated in a square-pyramidal geometry by the imine and pyridine N atoms of the Schiff base ligand, and by one terminal and two bridging Cl atoms. The Ni?Ni distance is 3.506?(2)?Å. The O atom of the furan substituent in the ligand unit is not involved in coordination to the Ni atom.

| S-EPMC2961345 | BioStudies

[Bis(pyridin-2-yl) selenide-?(2)N,N']tetra-chloridotin(IV).

Project description:The title compound, [SnCl(4)(C(10)H(8)N(2)Se)], was obtained by the reaction of 2,2'-dipyridyl diselenide with tin tetra-chloride. The Sn(IV) ion is coordinated by two N atoms [Sn-N = 2.266?(2) and 2.274?(2)?Å] from the bis-(2-pyrid-yl)selenide ligand and four chloride anions [Sn-Cl = 2.3717?(6)-2.3939?(6)?Å] in a distorted octa-hedral geometry. The central six-membered chelate ring has a boat conformation with the Se and Sn atoms deviating by 0.692?(3) and 0.855?(3)?Å, respectively, from the mean plane through the remaining four ring atoms. The pyridine rings are inclined to each other by a dihedral angle of 49.62?(8)°. The crystal packing exhibits short inter-molecular Se?Cl contacts [3.5417?(7) and 3.5648?(7)?Å], weak C-H?Cl hydrogen bonds and ?-? stacking inter-actions between the pyridine rings with a centroid-centroid distance of 3.683?(3)?Å.

| S-EPMC3393232 | BioStudies

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