Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[[diisothio-cyanato-cobalt(II)]-bis-[?-4-tert-butyl-2,6-bis-(1,2,4-triazol-1-ylmeth-yl)phenol]] dimethyl-formamide disolvate dihydrate].

ABSTRACT: In the title compound, {[Co(NCS)(2)(C(16)H(20)N(6)O)(2)]·2C(3)H(7)NO·2H(2)O}(n), each Co(II) ion located on an inversion center is six-coordinated by four equatorial N atoms from four different 4-tert-butyl-2,6-bis-(1,2,4-triazol-1-ylmeth-yl)phenol (L) ligands, and by two N atoms from two axial thio-cyanate anions [Co-N = 2.104?(3)-2.144?(3)?Å]. The metal centres are connected via the bidentate L ligands into two-dimensional polymeric layers parallel to bc plane. The dimethyl-formamide and solvent water mol-ecules participate in inter-molecular O-H?O and O-H?S hydrogen bonds, which consolidate the crystal packing.

SUBMITTER: Chu ZL

PROVIDER: S-EPMC2968591 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[[diisothio-cyanato-cobalt(II)]-bis-[μ-4-tert-butyl-2,6-bis-(1,2,4-triazol-1-ylmeth-yl)phenol]] dimethyl-formamide disolvate dihydrate].

Chu Zhao-Lian ZL

Acta crystallographica. Section E, Structure reports online 20090218 Pt 3

In the title compound, {[Co(NCS)(2)(C(16)H(20)N(6)O)(2)]·2C(3)H(7)NO·2H(2)O}(n), each Co(II) ion located on an inversion center is six-coordinated by four equatorial N atoms from four different 4-tert-butyl-2,6-bis-(1,2,4-triazol-1-ylmeth-yl)phenol (L) ligands, and by two N atoms from two axial thio-cyanate anions [Co-N = 2.104 (3)-2.144 (3) Å]. The metal centres are connected via the bidentate L ligands into two-dimensional polymeric layers parallel to bc plane. The dimethyl-formamide and solve ...[more]

PMID: 21582072

Similar Datasets

4,4'-Bis(1,2,4-triazol-1-ylmeth-yl)biphen-yl.

Project description:In the title compound, C(18)H(16)N(6), the complete mol-ecule is generated by crystallographic inversion symmetry. The dihedral angle between the benzene and triazole rings is 84.1?(3)°. The crystal structure is stabilized by weak C-H?N hydrogen bonds.

| S-EPMC2970468 | biostudies-literature

1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate.

Project description:The asymmetric unit of the title compound, C(10)H(8)N(6)·2H(2)O, comprises half the organic species, the mol-ecule being completed by inversion symmetry, and one water mol-ecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2?(2)°. The water mol-ecules form O-H?N hydrogen bonds with N-atom acceptors of the triazole rings. C-H?N hydrogen bonds are also observed, giving a three-dimensional framework.

| S-EPMC3414318 | biostudies-literature

2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate.

Project description:The asymmetric unit of the title compound, C(9)H(7)N(7)·2H(2)O, comprises three formula units. The dihedral angles between the triazole rings and the respective central pyridine rings are 4.87?(16)/1.39?(17), 6.46?(16)/7.61?(16) and 7.00?(16)/3.77?(17)°. The water mol-ecules form O-H?O hydrogen bonds between themselves and O-H?N hydrogen bonds with the N-atom acceptors of the triazole rings, producing a three-dimensional framework.

| S-EPMC3247355 | biostudies-literature

2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate.

Project description:In the asymmetric unit of the title compound, C(9)H(7)N(7)·2H(2)O, there are two formula units in which the two triazole rings of each of the organic component mol-ecules form dihedral angles of 7.0?(4)/6.9?(4) and 2.7?(4)/3.6?(4)° with the respective central pyridine rings. The four water mol-ecules of solvation form O-H?O hydrogen bonds among themselves and O-H?N bonds with the N-atom acceptors of the triazine rings, giving a three-dimensional framework structure.

| S-EPMC3151751 | biostudies-literature

Bis(?-3,5-dimethyl-4H-1,2,4-triazol-4-amine-?N:N)bis-[bis-(thio-cyanato-?N)zinc]-bis-(3,5-dimethyl-4H-1,2,4-triazol-4-amine-?N)bis-(thio-cyanato-?N)zinc (1/2).

Project description:In the crystal structure of the title 1:2 adduct, [Zn(2)(NCS)(4)(C(4)H(8)N(4))(2)]·2[Zn(NCS)(2)(C(4)H(8)N(4))(2)] or (Ia)·2(Ib), each Zn(II) atom is coordinated in a distorted tetra-hedral geometry by four N atoms from two triazole rings of two 4-amino-3,5-dimethyl-1,2,4-triazole (admt) ligands and two NCS(-) ligands. In (Ia), double N(1):N(2)-bridging admt ligands connect two Zn(II) atoms, forming a dimer with a Zn(2)(admt)(2) six-membered metallacycle located on a crystallographic inversion center. In (Ib), the admt ligands exhibit monodentate N(1)-coordination modes. Weak N-H?N, N-H?S and C-H?S hydrogen bonds play an important role in the inter-molecular packing. The S and C atoms of two thiocyanato ligands are disordered over two sets of sites in ratios of 0.57?(3):0.43?(3) and 0.63?(3):0.37?(3), respectively.

| S-EPMC3212172 | biostudies-literature

Bis[bis-(1H-benzimidazol-2-ylmeth-yl)amine]copper(II) dichloride methanol disolvate dihydrate.

Project description:In the title compound, [Cu(C(16)H(14)N(5))(2)]Cl(2)·2CH(4)O·2H(2)O, the cationic metal complex resides on a crystallographic centre of inversion, with the Cu(2+) bonded to two bis-(1H-benzimidazol-2-ylmeth-yl)amines (IDB). The coordination geometry of the Cu(2+) ion is distorted octa-hedral with an N(6) ligand set. A three-dimensional framework structure is formed by means of hydrogen bonds and π-π inter-actions formed between imidazole and phenyl rings, and between phenyl and phenyl rings, with centroid-to-centroid distances of 3.690 (2)-3.977 (2) Å and interplanar spacings of 3.445 (2)-3.502 (2) Å.

| S-EPMC2915122 | biostudies-literature

Bis[bis-(1-ethyl-benzimidazol-2-ylmeth-yl) ether]cobalt(II) dipicrate dimethyl-formamide disolvate.

Project description:In the title complex, [Co(C(20)H(22)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·2C(3)H(7)NO, the Co(II) ion is coordinated by two sets of two N atoms and an O atom from two independent tridendate ligands in a distorted octa-hedral coordination environment. There are significant differences between chemically equivalent coordination bond lengths. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds and weak ?-? stacking inter-actions [centroid-centroid distance 3.495?(1)?Å]. In one of the anions one nitro group is rotationally disordered about the C-N bond with refined occupancies of 0.524?(8) and 0.476?(8).

| S-EPMC2970309 | biostudies-literature

Diaqua-bis-[2,6-bis-(4H-1,2,4-triazol-4-yl)pyridine-?N(2)]bis-(seleno-cyanato-?N)cobalt(II).

Project description:In the title compound, [Co(NCSe)(2)(C(9)H(7)N(7))(2)(H(2)O)(2)], the Co(2+) cation is coordinated by two seleno-cyanate anions, two 2,6-bis-(4H-1,2,4-triazol-4-yl)pyridine ligands and two water mol-ecules within a slightly distorted N(4)O(2) octa-hedron. The asymmetric unit consists of one Co(2+) cation, which is located on a center of inversion, as well as one seleno-cyanate anion, one 2,6-bis-(4H-1,2,4-triazol-4-yl)pyridine ligand and one water mol-ecule in general positions. Inter-molecular O-H?N hydrogen bonds join the complex mol-ecules into layers parallel to the bc plane. The layers are linked by C-H?N and C-H?Se hydrogen bonds into a three-dimensional supra-molecular architecture.

| S-EPMC3414148 | biostudies-literature

Bis(5-amino-3-carb-oxy-1H-1,2,4-triazol-4-ium) sulfate dihydrate.

Project description:The crystal structure of the title compound, 2C(3)H(5)N(4)O(2) (+)·SO(4) (2-)·2H(2)O, displays a three-dimensional framework in which mixed infinite chains [oriented parallel to (510) and ([Formula: see text]10)] inter-fere, forming tunnels extending parallel to the c axis. Inter-molecular O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds ensure the unity of the structure and generate centrosymmetric R(4) (4)(14) and R(4) (2)(8) rings. The S atom lies on a twofold axis.

| S-EPMC3089095 | biostudies-literature

catena-Poly[[diaqua-dichlorido-manganese(II)]-?-1,1'-bis-(1H-1,2,4-triazol-1-ylmeth-yl)ferrocene].

Project description:In the title complex, [FeMn(C(8)H(8)N(3))(2)Cl(2)(H(2)O)(2)](n), the Mn(II) atom, located on an inversion center, is octa-hedrally coordinated by two N atoms from two adjacent 1,1'-bis-(1H-1,2,4-triazol-1-ylmeth-yl)ferrocene (btmf) ligands and two Cl atoms forming the equatorial plane, with the axial positions occupied by two O atoms of coordinated water mol-ecules. The btmf ligands link adjoining Mn(II) atoms into a zigzag chain along the a axis. The crystal structure is stabilized by inter-molecular O-H?N hydrogen bonds, which link the chains, forming a two-dimensional layer parallel to (10); O-H?Cl inter-actions link the layers, forming a three-dimensional network.

| S-EPMC2980034 | 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