Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

A monoclinic polymorph of dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κN,N,N)manganese(II).

ABSTRACT: The Mn(II) ion in the title complex, [MnCl(2)(C(18)H(12)N(6))], is five-coordinated in a distorted square-pyramidal geometry by three N atoms of the tridentate 2,4,6-tri-2-pyridyl-1,3,5-triazine ligand and two chloride anions. In the crystal, the pyridyl rings are located approximately parallel to their carrier triazine ring, making dihedral angles of 5.0 (1), 3.8 (1) and 3.2 (1)°. Intramolecular C-H⋯N hydrogen bonds are present. The complexes are stacked in columns along the c axis and linked by inter-molecular C-H⋯Cl hydrogen bonds, forming one-dimensional chains. In the column, inter-molecular π-π inter-actions between the six-membered rings are present, the shortest centroid-centroid distance being 3.623 (2) Å. The structure reported herein represents a monoclinic polymorph of the previously reported triclinic form [Ha (2010 ▶). Acta Cryst. E66, m262].

SUBMITTER: Ha K

PROVIDER: S-EPMC3200800 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

A monoclinic polymorph of dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κN,N,N)manganese(II).

Ha Kwang K

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

The Mn(II) ion in the title complex, [MnCl(2)(C(18)H(12)N(6))], is five-coordinated in a distorted square-pyramidal geometry by three N atoms of the tridentate 2,4,6-tri-2-pyridyl-1,3,5-triazine ligand and two chloride anions. In the crystal, the pyridyl rings are located approximately parallel to their carrier triazine ring, making dihedral angles of 5.0 (1), 3.8 (1) and 3.2 (1)°. Intramolecular C-H⋯N hydrogen bonds are present. The complexes are stacked in columns along the c axis and linked b ...[more]

PMID: 22065815

Similar Datasets

Dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine)manganese(II).

Project description:In the title complex, [MnCl(2)(C(18)H(12)N(6))], the Mn(II) ion is five-coordinated in an approximately square-pyramidal geometry defined by three N atoms of the tridentate 2,4,6-tri-2-pyridyl-1,3,5-triazine ligand and two Cl atoms. In the crystal, the mol-ecules are stacked in columns along the c axis and display inter-molecular π-π inter-actions between the six-membered rings, the shortest centroid-centroid distance being 3.553 (3)Å. Inter-molecular C-H⋯Cl contacts are also noted.

| S-EPMC2983677 | biostudies-literature

Dibromido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κN,N,N)manganese(II).

Project description:The Mn(II) ion in the title complex, [MnBr(2)(C(18)H(12)N(6))], is five-coordinated in a distorted square-pyramidal geometry by three N atoms of the tridentate 2,4,6-tri-2-pyridyl-1,3,5-triazine (tptz) ligand and two bromide anions. In the crystal, the pyridyl rings coordinated to the Mn atom are inclined slightly to their carrier triazine ring [dihedral angles = 8.0 (3) and 7.5 (3)°], whereas the uncoordinated pyridyl ring is located approximately parallel to the triazine ring [dihedral angle = 3.7 (3)°]. The complexes are stacked in columns along the a axis and linked by inter-molecular C-H⋯Br hydrogen bonds, forming chains. In the column, inter-molecular π-π inter-actions between the six-membered rings are present, the shortest centroid-centroid distance being 3.750 (4) Å.

| S-EPMC3238591 | biostudies-literature

Diacetato-κO;κO,O'-aqua-(2,4,6-tri-2-pyridyl-1,3,5-triazine-κN,N,N)manganese(II) monohydrate.

Project description:The Mn(II) ion in the title compound, [Mn(CH(3)CO(2))(2)(C(18)H(12)N(6))(H(2)O)]·H(2)O, is seven-coordinated in an approximately penta-gonal-bipyramidal geometry by three N atoms of the tridentate 2,4,6-tri-2-pyridyl-1,3,5-triazine ligand and four O atoms from two distinct anionic acetato ligands and a water mol-ecule. One acetate anion chelates the Mn atom via two O atoms occupying equatorial positions, and the other anion coordinates the Mn atom as a monodentate ligand via one O atom. The complex and solvent water mol-ecules are linked by inter- and intra-molecular O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC3200744 | biostudies-literature

Diaqua-(trifluoro-acetato-κO,O')[2,4,6-tri-2-pyridyl-1,3,5-triazine-κN,N,N]manganese(II) trifluoro-acetate.

Project description:The Mn(II) atom in the two independent ion-pairs of the title salt, [Mn(C(2)F(3)O(2))(C(18)H(12)N(6))(H(2)O)(2)]C(2)F(3)O(2), is N,N',N''-chelated by the neutral N-heterocycle and O,O'-chelated by the carboxyl-ate ion, the five atoms involved in chelation comprising a penta-gon around it. The apical sites of the trans-penta-gonal bipyramidal coordination geometry are occupied by two water mol-ecules. The cations and lattice anions are linked by O-H⋯O and O-H⋯N hydrogen bonds into a three-dimensional network.

| S-EPMC2977628 | biostudies-literature

Aqua-glutarato(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II) trihydrate.

Project description:In the title compound, [Ni(C(5)H(6)O(4))(C(18)H(12)N(6))(H(2)O)(2)]·3H(2)O, the Ni(II) atom shows a distorted octa-hedral coordination by three N atoms of the tridentate chelating ligand and three O atoms of two aqua ligands and an O atom of one carboxylate group of the glutarate anion. Mol-ecules are self-assembled via inter-molecular O-H⋯O and O-H⋯N hydrogen-bonding inter-actions and π-π stacking inter-actions [centroid-centroid distance = 3.836 (3) Å] into a supra-molecular network.

| S-EPMC3099847 | biostudies-literature

Poly[[(μ(3)-2,4,6-tri-4-pyridyl-1,3,5-triazine)copper(I)] nitrate monohydrate].

Project description:In the title compound, {[Cu(C(18)H(12)N(6))]NO(3)·H(2)O}(n), the Cu(I) ion is coordinated by three N atoms [Cu-N 1.962 (3)-2.019 (3) Å] from three 2,4,6-tri-4-pyridyl-1,3,5-triazine (L) ligands. Each L ligand bridges three Cu(I) atoms, generating a positively charged three-dimensional polymeric network with voids propagated along the b axis. These voids are filled with NO(3) (-) anions with a shortest Cu⋯O distance of 2.645 (3) Å and water mol-ecules, which are linked into negatively charged helical chains via inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC3099806 | biostudies-literature

3-Nitro-phenol-1,3,5-triazine-2,4,6-tri-amine (2/1).

Project description:The asymmetric unit of the title compound, C3H6N6·2C6H5NO3, contains one melamine and two 3-nitro-phenol mol-ecules. The mean planes of the 3-nitro-phenol mol-ecules are almost orthogonal to the plane of melamine, making dihedral angles of 82.77 (4) and 88.36 (5)°. In the crystal, mol-ecules are linked via O-H⋯N, N-H⋯N and N-H⋯O hydrogen bonds, forming a three-dimensional network. The crystal also features weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.9823 (9) Å].

| S-EPMC3684915 | biostudies-literature

Trimethyl 2,2',2''-[1,3,5-triazine-2,4,6-tri-yltris-(aza-nedi-yl)]triacetate.

Project description:The title compound, C(12)H(18)N(6)O(6), was synthesized via nucleophilic substitution by reacting 2,4,6-trichloro-1,3,5-triazine with glycine methyl ester hydro-chloride in reflux (dried toluene) under anhydrous atmosphere. Individual mol-ecules self-assemble via strong N-H?O hydrogen bonds into supra-molecular double tapes running parallel to the [010] crystallographic direction. The close packing of supra-molecular tapes is mediated by geometrical reasons in tandem with a number of weaker N-H?O and C-H?N hydrogen-bonding inter-actions.

| S-EPMC3011776 | biostudies-literature

A second polymorph of 2,4,6-tris-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine.

Project description:The mol-ecule of the title compound, C(18)H(21)N(9), is nearly planar, with the three pyrazole rings aligned at 2.40 (5), 9.27 (5) and 9.71 (5)° with respect to the triazine ring. The triazine ring is planar (r.m.s. deviation = 0.005 Å), the distortion from a hexa-gonal arrangement arising from the angles at the N [112.4 (1)-113.1 (1)°] and C [127.1 (1)-127.6 (1)°] atoms deviating from 120°. The crystal studied was an inversion twin.

| S-EPMC3515290 | biostudies-literature

Crystal structure of 4,4',4''-(1,3,5-triazine-2,4,6-tri-yl)tripyridinium trichloride 2.5-hydrate.

Project description:The asymmetric unit of the title compound, C18H15N6 (3+)·3Cl(-)·2.5H2O, contains two independent (1,3,5-triazine-2,4,6-tri-yl)tripyridinium cations. Both cations are approximately planar, the r.m.s. deviations of fitted non-H atoms being 0.045 and 0.051 Å. In the crystal, extensive O-H⋯Cl, O-H⋯O, N-H⋯Cl and N-H⋯O hydrogen bonds and weak C-H⋯Cl and C-H⋯O inter-actions link the organic cations, Cl(-) anions and water mol-ecules into a three-dimensional supra-molecular architecture. π-π stacking between the pyridine rings of adjacent cations is also observed, the centroid-to-centroid distance being 3.7578 (8) Å.

| S-EPMC4645061 | 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