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Diaqua-bis-{5-(pyridin-2-yl-?N)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ido-?N (1)}cobalt(II).

ABSTRACT: In the centrosymmetic title complex, [Co(C18H12N5)2(H2O)2], the Co(II) ion is coordinated by two N,N'-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ide ligands and two water mol-ecules in a trans-CoO2N4 coordination geometry. In the ligand, the dihedral angles between the triazole ring and its adjacent pyridine and benzene rings are 5.57?(14) and 6.89?(16)°, respectively. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, generating a three-dimensional network.

PROVIDER: S-EPMC3588412 | BioStudies |

REPOSITORIES: biostudies

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Diaqua-bis-{5-(pyridin-2-yl-?N)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ido-?N (1)}iron(II).

Project description:In the centrosymmetric title complex, [Fe(C18H12N5)2(H2O)2], the Fe(II) ion, lying on an inversion centre, is coordinated by two N,N'-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ide ligands and two water mol-ecules in a trans-FeO2N4 geometry. In the ligand, the triazole ring makes dihedral angles of 5.21?(18) and 6.7?(2)°, respectively, with the adjacent pyridine and benzene rings. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, generating a three-dimensional network.

| S-EPMC3588513 | BioStudies

Diaqua-bis-{5-(pyridin-2-yl-?N)-3-[4-(pyri-din-4-yl)phenyl]-1H-1,2,4-triazol-1-ido-?N (1)}zinc.

Project description:The asymmetric unit of the title compound, [Zn(C18H12N5)2(H2O)2], consists a Zn(II) ion, located on an inversion center, a deprotonated 5-pyridin-2-yl-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ido ligand and a water mol-ecule. The whole mol-ecule is generated by inversion symmetry. The Zn(II) ion has a distorted octa-hedral coordination geometry, defined by four N atoms from the two deprotonated organic ligands and two water O atoms. In the crystal, O-H?N hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3629490 | BioStudies

Diaqua-bis-{3-[4-(1H-imidazol-1-yl)phenyl]-5-(pyridin-2-yl-?N)-1H-1,2,4-triazol-1-ido-?N(1)}zinc.

Project description:The centrosymmetric mol-ecule of the title compound, [Zn(C(16)H(11)N(6))(2)(H(2)O)(2)], contains one Zn(2+) ion located on a center of symmetry, two 3-[4-(1H-imidazol-1-yl)phen-yl]-5-(pyridin-2-yl)-1H-1,2,4-triazol-1-ide (Ippyt) ligands and two coordinating water mol-ecules. The Zn(II) ion is six-coordinated in a distorted octa-hedral coordination geometry by four N atoms from two Ippyt ligands and by two O atoms from two water mol-ecules. Adjacent units are inter-connected though O-H?N hydrogen bonds, forming a three-dimensional network.

| S-EPMC3435604 | BioStudies

Diaqua-bis-[5-(pyrazin-2-yl-?N(1))-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-ido-?N(1)]cobalt(II) methanol disolvate.

Project description:The Co(II) ion in the title mononuclear compound, [Co(C(11)H(7)N(6))(2)(H(2)O)(2)]·2CH(3)OH, is located on an inversion center and is six-coordinated in a distorted octa-hedral geometry defined by four N atoms from two deprotonated 5-(pyrazin-2-yl-?N)-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-ide (ppt) ligands and two water mol-ecules. In the crystal, the complex mol-ecules and lattice methanol mol-ecules are linked via O-H?N and O-H?O hydrogen bonds, generating a two-dimensional supra-molecular network parallel to (001). ?-? inter-actions between the triazole and pyrazine rings and between the pyridine rings are present [centroid-centroid distances = 3.686?(3) and 3.929?(4)?Å, respectively].

| S-EPMC3344341 | BioStudies

Diaqua-bis-[5-(pyrazin-2-yl-?N)-3-(pyridin-3-yl)-1,2,4-triazolido-?N]cadmium.

Project description:In the title compound, [Cd(C(11)H(7)N(6))(2)(H(2)O)(2)], the Cd(II) cation is located on an inversion center and is coordinated by four N atoms from two 5-(pyrazin-2-yl)-3-(pyridin-3-yl)-1,2,4-triazol-ide anions and two water mol-ecules in a distorted octa-hedral geometry. The triazolide ligand is nearly planar: the central triazole ring is oriented at dihedral angles of 4.63?(13) and 8.41?(13)° with respect to the pyrazine and pyridine rings. Inter-molecular O-H?N hydrogen bonds link the mol-ecules into a two-dimensional supra-molecular network parallel to (001).

| S-EPMC3238616 | BioStudies

Diaqua-bis-[5-(pyrazin-2-yl)-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-ido-κN]zinc.

Project description:The title mononuclear complex, [Zn(C(11)H(7)N(6))(2)(H(2)O)(2)], is composed of one Zn(II) ion, two deprotonated ppt ligands [Hppt = 5-(pyrazin-2-yl)-3-(pyridin-4-yl)-1H-1,2,4-triazole] and two coordinating water mol-ecules. The asymmetric unit consists of one half-mol-ecule that is completed by application of a centre of symmetry. The Zn(II) atom is six-coordinated in an octa-hedral environment, surrounded by two O atoms in the axial positions and four N atoms in the equatorial plane. Adjacent mononuclear units are further linked via O-H⋯N hydrogen-bonding inter-actions, forming a two-dimensional network along (100).

| S-EPMC3274922 | BioStudies

Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-?N)-1,2,4-triazol-1-ido-?N(1)]copper(II).

Project description:In the mononuclear title complex, [Cu(C(11)H(7)N(6))(2)], the Cu(II) atom lies on a crystallographic inversion centre and is coordinated by four N atoms from two bidentate chelate monoanionic 3-(pyrazin-2-yl)-5-(pyridin-2-yl-1,2,4-triazol-1-ido ligands, two from the triazolide rings [Cu-N = 1.969?(2)?Å] and two from the pyridine rings [Cu-N = 2.027?(2)?Å], giving a slightly distorted square-planar geometry.

| S-EPMC3344390 | BioStudies

Diaquabis-(thio-cyanato-?N)bis[6-(4H-1,2,4-triazol-4-yl-?N(1))pyridin-2-amine]-cadmium.

Project description:In the title compound, [Cd(NCS)(2)(C(7)H(7)N(5))(2)(H(2)O)(2)], the Cd(II) cation lies on an inversion center and is coordinated by the N atoms of two thiocyanate anions, by N atoms of two 6-(4H-1,2,4-triazol-4-yl)pyridin-2-amine ligands and by the O atoms of two water molecules in a distorted N(4)O(2) octa-hedral geometry. The dihedral angle between the triazole and pyridine rings is 23.15?(12)°. In the crystal, mol-ecules are linked by N-H?N and O-H?S hydrogen bonds. Offset ?-? stacking between parallel pyridine rings of adjacent mol-ecules is also observed, the centroid-centroid distance being 3.6319?(14)?Å.

| S-EPMC3414147 | BioStudies

catena-Poly[[[di-aqua-bis-[1,2-bis-(pyridin-4-yl)diazene]copper(II)]-?-1,2-bis-(pyridin-4-yl)diazene] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C10H8N4)3(H2O)2](ClO4)2} n , the coordination environment of the cationic Cu(II) atom is distorted octa-hedral, formed by pairs of symmetry-equivalent 1,2-bis-(pyridin-4-yl)diazene ligands, bridging 1,2-bis-(pyridin-4-yl)diazene ligands and two non-equivalent water mol-ecules. The 1,2-bis-(pyridin-4-yl)diazene mol-ecules form polymeric chains parallel to [-101] via azo bonds which are situated about inversion centres. Since the Cu(II) atom is situated on a twofold rotation axis, the monomeric unit has point symmetry 2. The perchlorate anions are disordered in a 0.536?(9):0.464?(9) ratio and are acceptors of water H atoms in medium-strong O-H?O hydrogen bonds with graph set R 4 (4)(12). The water mol-ecules, which are coordinated to the Cu(II) atom and are hydrogen-bonded to the perchlorate anions, form columns parallel to [010]. A ?-? inter-action [centroid-centroid distance = 3.913?(2)?Å] occurs between pyridine rings, and weak C-H?O inter-actions also occur.

2013-01-01 | S-EPMC3684881 | BioStudies

4-(Naphthalene-2-carboxamido)-pyridin-1-ium thio-cyanate-N-(pyridin-4-yl)naphthalene-2-carboxamide (1/1).

Project description:The asymmetric unit of the title compound, C(16)H(13)N(2)O(+)·NCS(-)·C(16)H(12)N(2)O, contains two N-(pyridin-4-yl)naphthalene-2-carboxamide mol-ecules, both are partially protonated in the pyridine moiety, i.e. the H atom attached to the pyridine N atom is partially occupied with an occupancy factor of 0.61?(3) and 0.39?(3), respectively. In the crystal, protonated and neutral N-(pyridin-4-yl)naphthalene-2-carboxamide mol-ecules are linked by N-H?N hydrogen bonding; the thio-cyanate counter-ion links with both protonated and neutral N-(pyridin-4-yl)naphthalene-2-carboxamide mol-ecules via N-H?S and N-H?N hydrogen bonding. The dihedral angles between the pyridine ring and naphthalene ring systems are 11.33?(6) and 9.51?(6)°, respectively. ?-? stacking is observed in the crystal structure, the shortest centroid-centroid distance being 3.5929?(8)?Å. The crystal structure was determined from a nonmerohedral twin {ratio of the twin components = 0.357?(1):0.643?(1) and twin law [-100 0-10 -101]}.

2012-01-01 | S-EPMC3470361 | BioStudies

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