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

ABSTRACT: 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.

SUBMITTER: Li B

PROVIDER: S-EPMC3629490 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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

Li Bin B

Acta crystallographica. Section E, Structure reports online 20130316 Pt 4

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, ...[more]

PMID: 23634008

Similar Datasets

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-literature

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).

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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).

Project description: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.

| S-EPMC3588412 | biostudies-literature

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.

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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].

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5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyri-din-2-yl)meth-yl]-1H-benzimidazole.

Project description:The title compound, C20H18N4, was obtained via the condensation of 4,5-di-methyl-benzene-1,2-di-amine with pyridine-2-carbaldehyde. The plane of the 2-(pyridin-2-yl) substitutent is canted by 2.75?(11)° from the plane of the benzimidazole system. The mol-ecule exhibits an S(6) C-H?N intra-molecular hydrogen-bond motif. In the crystal, C-H?N hydrogen bonds link pairs of mol-ecules related by a crystallographic inversion center, forming R 2 (2)(20) rings. Additional weak C-H?N hydrogen bonds result in C(9) chains parallel to [001].

| S-EPMC3998417 | biostudies-literature

2-(5-{6-[5-(Pyrazin-2-yl)-1H-1,2,4-triazol-3-yl]pyridin-2-yl}-1H-1,2,4-triazol-3-yl)pyrazine.

Project description:In the title mol-ecule, C(17)H(11)N(11), the five rings are almost coplanar [maxium deviation 0.1949?(1)?Å]. The dihedral angles between the two pyrazine rings and the two triazole rings are 1.52?(4) and 2.51?(5)°, respectively. The central pyridine ring forms dihedral angles of 5.57?(1) and 1.71?(1)° with the two triazole rings. The crystal packing consists of a three-dimensional network structure generated by inter-molecular N-H?N hydrogen bonds. The crystal structure is further consolidated by ?-? stacking [centroid-to-centroid distances 3.599?(10) and 4.769?(13)?Å].

| S-EPMC3200783 | biostudies-literature

3-Pyridin-2-yl-1H-1,2,4-triazol-5-amine.

Project description:In the title compound, C(7)H(7)N(5), the non-H atoms are almost coplanar (r.m.s. deviation = 0.050?Å), with the N atom of pyridine ring oriented to the N-N(H) side of the 1,2,4-triazole ring. The mean planes of the pyridine and 1,2,4-triazole rings form a dihedral angle of 5.58?(7)°. The N atom of the amino group adopts a pyramidal configuration. The mol-ecules are linked into a two-dimensional network parallel to (10) by N-H?N hydrogen bonds.

| S-EPMC2968045 | biostudies-literature

1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethanol.

Project description:In the title compound, C(10)H(11)N(3)O, the planar five- and six-membered rings are nearly parallel to each other, making a dihedral angle of 2.52?(5)°. Weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers and strong inter-molecular O-H?N hydrogen bonds link the dimers into infinite chains along the b axis.

| S-EPMC2961775 | biostudies-literature

3-Phenyl-1H-1,2,4-triazol-5-amine-5-phenyl-1H-1,2,4-triazol-3-amine (1/1).

Project description:In the title compound, C(8)H(8)N(4)·C(8)H(8)N(4), two tautomers, viz. 3-phenyl-1,2,4-triazol-5-amine and 5-phenyl-1,2,4-triazol-3-amine, are crystallized together in equal amounts. The 3-phenyl-1,2,4-triazol-5-amine mol-ecule is essentially planar; the phenyl ring makes a dihedral angle of 2.3?(2)° with the mean plane of the 1,2,4-triazole ring. In the 5-phenyl-1,2,4-triazol-3-amine tautomer, the mean planes of the phenyl and 1,2,4-triazole rings form a dihedral angle of 30.8?(2)°. The ?-electron delocalization of the amino group with the 1,2,4-triazole nucleus in the 3-phenyl-1,2,4-triazol-5-amine mol-ecule is more extensive than that in the 5-phenyl-1,2,4-triazol-3-amine tautomer. The mol-ecules are linked into a two-dimensional network parallel to (100) by N-H?N hydrogen bonds.

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