Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dichloridobis{2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-benzimidazole-?N (3)}-zinc(II).

ABSTRACT: In the title complex, [ZnCl2(C10H9N5)2], the Zn(II) ion is coordinated by two N atoms from two 2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-benzimidazole (tmb) ligands and by two chloride ligands in a slightly distorted tetra-hedral geometry. In the tmb ligands, the benzimidazole rings systems are essentially planar, with maximum deviations from the mean plane of 0.021?(3) and 0.030?(3)?Å, and form dihedral angles of 73.2?(2) and 83.5?(2)° with the triazole rings. In the crystal, N-H?N hydrogen bonds link complex mol-ecules into chains along [010]. In addition, weak C-H?Cl and C-H?N hydrogen bonds complete a three-dimensional network. Two weak intra-molecular C-H?Cl hydrogen bonds are also observed.

SUBMITTER: Zhang WP

PROVIDER: S-EPMC3647793 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dichloridobis{2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-benzimidazole-κN (3)}-zinc(II).

Zhang Wei-Peng WP Zhang Jiao-Lin JL Hao Bao-Lian BL Yang Huai-Xia HX

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

In the title complex, [ZnCl2(C10H9N5)2], the Zn(II) ion is coordinated by two N atoms from two 2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-benzimidazole (tmb) ligands and by two chloride ligands in a slightly distorted tetra-hedral geometry. In the tmb ligands, the benzimidazole rings systems are essentially planar, with maximum deviations from the mean plane of 0.021 (3) and 0.030 (3) Å, and form dihedral angles of 73.2 (2) and 83.5 (2)° with the triazole rings. In the crystal, N-H⋯N hydrogen bonds l ...[more]

PMID: 23723759

Similar Datasets

2-[4-(1H-1,2,4-Triazol-1-yl)phen-yl]-1H-benzimidazole.

Project description:In the title compound, C(15)H(11)N(5), the benzimidazole ring system is nearly planar [maximum deviation = 0.039?(2)?Å], and is oriented at a dihedral angle of 28.85?(10)° with respect to the benzene ring; the dihedral angle between the triazole and benzene rings is 17.30?(15)°. In the crystal N-H?N hydrogen bonds link the mol-ecules into chains. Weak C-H?N inter-actions are also present.

| S-EPMC3470242 | biostudies-literature

1-{4-[(1H-1,2,4-Triazol-1-yl)meth-yl]benz-yl}-1H-1,2,4-triazol-4-ium perchlorate.

Project description:In the crystal structure of the title compound, C(12)H(13)N(6) (+)·ClO(4) (-), the cation, located about an inversion center, is monoprotonated, and one H atom is disordered over two sites on N atoms of the two triazole rings, each with an occupancy factor of 0.5. The perchlorate anion has C(2) symmetry, the Cl atom and one O atom lying on the twofold rotation axis; the anion is thus disordered over two sites of equal occupancy. In the cation, the triazole ring makes a dihedral angle of 84.75?(7)° with the plane of the benzene ring. In the crystal, inter-molecular N-H?N hydrogen bonding between the triazole and triazolium rings links the cations into a wave-like supra-molecular chain. Weak inter-molecular C-H?N and C-H?O hydrogen bonding is also present.

| S-EPMC2983622 | biostudies-literature

Poly[bis-[?(2)-2-(1H-1,2,4-triazol-1-yl)acetato]zinc(II)].

Project description:In the title compound, [Zn(C(4)H(4)N(3)O(2))(2)](n), the Zn(II) atom is coordinated by two O atoms [Zn-O = 1.969?(2) and 1.997?(2)?Å] and two N atoms [Zn-N = 2.046?(2) and 2.001?(2)?Å] in a distorted tetra-hedral geometry. Non-classical inter-molecular C-H?O hydrogen bonds link the complex into a three-dimensional supra-molecular framework.

| S-EPMC2971393 | biostudies-literature

Diaqua-bis-{5-carb-oxy-2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4-carboxyl-ato}zinc.

Project description:In the title compound, [Zn(C(8)H(6)N(5)O(4))(2)(H(2)O)(2)], the six-coordinate Zn(II) ion, which is located on an inversion center, has a distorted octa-hedral configuration. Each 5-carb-oxy-2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4-carboxyl-ate ligand chelates to the Zn(II) ion through a triazole N atom and a carboxyl-ate O atom in the equatorial plane. The coordination sphere is completed by two water mol-ecules in axial positions. There is an intra-molecular O-H?O hydrogen bond in the ligand. In the crystal, mol-ecules are linked via inter-molecular O-H?O, O-H?N and N-H?N hydrogen bonds, forming a three-dimensional structure.

| S-EPMC3238584 | biostudies-literature

Diaqua-bis{5-carboxy-2-[(1H-1,2,4-triazol-1-yl)-meth-yl]-1H-imidazole-4-carboxyl-ato}-manganese(II).

Project description:In the title compound, [Mn(C(8)H(6)N(5)O(4))(2)(H(2)O)(2)], the Mn(II) ion is situated on an inversion center and is six-coordinated by two N and two O atoms from two L ligands (HL = 2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4,5-dicarboxylic acid) and two water mol-ecules in a distorted octa-hedral geometry. In ligand L, the imidazole and triazole rings form a dihedral angle of 74.25?(8)°. Mol-ecules are assembled into a three-dimensional structure via inter-molecular O-H?O, O-H?N and N-H?N hydrogen-bonds, and ?-? inter-actions with a short distance of 3.665?(2)?Å between the centroids of the imidazole and triazole rings of neighbouring mol-ecules.

| S-EPMC2979128 | biostudies-literature

Tetra-aqua-{1-[(1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole}sulfato-zinc(II) dihydrate.

Project description:In the title complex, [Zn(SO(4))(C(9)H(8)N(6))(H(2)O)(4)]·2H(2)O, the Zn(II) ion is six-coordinated by one N atom from a 1-[(1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole ligand and five O atoms from one monodentate sulfate anion and four water mol-ecules in a distorted octa-hedral geometry. The sulfate tetra-hedron is rotationally disordered over two positions in a 0.618 (19):0.382 (19) ratio. In the crystal, adjacent mol-ecules are linked through O-H⋯O and O-H⋯N hydrogen bonds involving the cation, the anion, and the coordinated and uncoordinated water mol-ecules into a three-dimensional network.

| S-EPMC3008971 | biostudies-literature

1-(4-Meth-oxy-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone.

Project description:In the title compound, C(11)H(11)N(3)O(2), the dihedral angle between the central ethanone fragment and the 4-meth-oxy-phenyl group is 2.9?(2)°, while that between the ethanone fragment and the triazole ring is 83.4?(2)°. The dihedral angle between the planes of the triazole and benzene rings is 81.7?(1)°. The 4-meth-oxy-phenyl group is cis with respect to the ethanone fragment O atom across the exocyclic C-C bond. In the crystal, mol-ecules are linked by C-H?N inter-actions into C(9) chains along [001].

| S-EPMC3007452 | biostudies-literature

Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth-yl]sulfan-yl}phenol.

Project description:In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40?(5)° with that of the triazole group. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds involving the phenol -OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C-H?N hydrogen-bond inter-actions. Aromatic ?-? stacking [centroid-centroid separation = 3.556?(1)?Å] between the triazole rings links the layers into a three-dimensional network.

| S-EPMC4257201 | biostudies-literature

catena-Poly[iron(II)-bis-{?-5-carb-oxy-2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4-carboxyl-ato}].

Project description:In the title coordination polymer, [Fe(C(8)H(6)N(5)O(4))(2)](n) {or [FeL(2)](n),where HL = 2-[(1H-1,2,4-triazol-1-yl) meth-yl]-1H-imidazole-4,5-dicarb-oxy-lic acid)}, the Fe(II) ion, located on an inversion centre, is six-coordinated by two O atoms and four N atoms from two L(-) ligands in a distorted octa-hedral geometry [Fe-O = 2.1452?(13), Fe-N = 2.1316?(14) and 2.2484?(15)?Å]. There is an intra-molecular O-H?O hydrogen bond in each L(-) ligand. Being an effective tridentate bridging ligand, the deprotonated L(-) anions link two Fe(II) atoms, yielding a chain-like polymer propagating along [100]. In the crystal, these polymer chains are linked via N-H?N hydrogen bonds, forming a two-dimensional network.

| S-EPMC3201379 | biostudies-literature

Poly[dichloridobis[?-1-(4-pyridylmeth-yl)-1H-1,2,4-triazole]copper(II)].

Project description:The title coordination polymer, [CuCl(2)(C(8)H(8)N(4))(2)](n), arose from a layer-separated diffusion synthesis at room temperature. The Cu atom (site symmetry ) is coordinated by two chloride ions and four N atoms (two from triazole rings and two from pyridyl rings) in a distorted trans-CuCl(2)N(4) octa-hedral arrangement. The bridging 1-(4-pyridylmeth-yl)-1H-1,2,4-triazole ligands [dihedral angle between the triazole and pyridine rings = 68.08?(8)°] result in a two-dimensional 4(4) sheet structure in the crystal.

| S-EPMC2968461 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data