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Crystal structure of 2,4,6-tris-(cyclo-hex-yloxy)-1,3,5-triazine.

ABSTRACT: The title compound, C21H33N3O3, is a tri-substituted cyclo-hex-yloxy triazine. In the crystal, the triazine rings form (C3i-PU) Piedfort units. The inter-centroid distance of the π-π inter-action involving the triazine rings is 3.3914 (10) Å. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming ribbons propagating along [1-10]. There are also weak C-H⋯N and C-H⋯O contacts present, linking inversion-related ribbons, forming a three-dimensional structure.

SUBMITTER: Sankolli R

PROVIDER: S-EPMC4645094 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 2,4,6-tris-(cyclo-hex-yloxy)-1,3,5-triazine.

Sankolli Ravish R Hauser Jürg J Row T N Guru TN Hulliger Jürg J

Acta crystallographica. Section E, Crystallographic communications 20151014 Pt 11

The title compound, C21H33N3O3, is a tri-substituted cyclo-hex-yloxy triazine. In the crystal, the triazine rings form (C3i-PU) Piedfort units. The inter-centroid distance of the π-π inter-action involving the triazine rings is 3.3914 (10) Å. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming ribbons propagating along [1-10]. There are also weak C-H⋯N and C-H⋯O contacts present, linking inversion-related ribbons, forming a three-dimensional structure. ...[more]

PMID: 26594503

Similar Datasets

Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-tri-yl)tris-(-oxy)]tris-(5,5-di-methyl-cyclo-hex-2-en-1-one).

Project description:The three cyclo-hexenone rings of the title compound, C27H33N3O6, adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. These cyclo-hexenone mean planes form dihedral angles of 87.41?(11), 70.73?(11) and 70.47?(11)° with the 1,3,5-triazine ring, while the dihedral angle between the cyclo-hexenone mean planes are 57.52?(12), 23.75?(12) and 53.21?(12)°. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC6038646 | biostudies-literature

2,4,6-Tris(2,4-dimethyl-phen-yl)-1,3,5-triazine.

Project description:Two virtually superimposable mol-ecules comprise the asymmetric unit of the title compound, C(27)H(27)N(3). The range of dihedral angles between the central 1,3,5-triazine ring and the attached benzene rings is 20.88?(14)-31.36?(14)°, and the shape of each mol-ecule is of a flattened bowl. The crystal packing features weak C-H?? bonds and ?-? inter-actions between triazine and benzene rings [centroid-centroid separations = 3.7696?(17) and 3.7800?(18)?Å] that result in the formation of supra-molecular layers in the ac plane. The crystal studied was a non-merohedral twin with a minor twin component of 20.7?(3)%.

| S-EPMC3344576 | biostudies-literature

Poly[dinitrato[?(3)-2,4,6-tris-(4-pyrid-yl)-1,3,5-triazine]cobalt(II)].

Project description:The solvothermal reaction of Co(NO(3))(2) and 2,4,6-tris(4-pyridyl)-1,3,5-triazine in dimethyl-formamide/ethanol mixed solvent afforded the title coordination polymer, [Co(NO(3))(2)(C(18)H(12)N(6))](n), in which the Co(II) atom is seven-coordinated by pyridyl groups of three different ligands and two chelating nitrate anions. The complex displays a nano-sized porous metal-organic framework that belongs to a (10,3) topological network.

| S-EPMC3120381 | 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

Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.

Project description:Complexes of type [M(tpt)2]X2 (M2+ = Fe2+, Co2+, Ni2+; tpt = 2,4,6-tri{pyrazol-1-yl}-1,3,5-triazine; X- = BF4 - or ClO4 -) crystallize in a cubic lattice, with the metal ion and ligand conformation showing unusual symmetry-imposed disorder. Addition of 1 equiv AgX to the corresponding preformed [M(tpt)2]X2 salt in concentrated MeNO2 solution affords thixotropic gels. Gelation was not observed in analogous reactions using [Mn(tpt)2][ClO4]2, or from reactions in other, more donating solvents. Scanning electron microscopy (SEM) images from dilute solutions of the reagents confirmed the fibrous microstructure of the gels and their homogeneous elemental composition. However, energy-dispersive X-ray data show a reduced Fe/Ag ratio compared to the Co/Ag and Ni/Ag gels, where a 1:1 ratio of metals is evident. More concentrated gels decomposed to silver nanoparticles during SEM sample preparation. Mass spectrometry and 1H NMR indicate that silver induces partial ligand displacement reactions in [Fe(tpt)2]2+ and [Co(tpt)2]2+, but not in [Ni(tpt)2]2+. Hence, the strength of the gels, which follows the order M = Mn (no gel) < Fe < Co < Ni, correlates with the stability of octahedral [M(tpt)2]2+ under gelation conditions. Iron(II) complexes of the related ligands 2,4,6-tri{pyrazol-1-yl}pyridine (tpp) and 2,4,6-tri{pyrazol-1-yl}pyrimidine (tpym) did not undergo gelation with silver salts under the above conditions. The unique properties of tpt as a gelator in this work may reflect the crystallographically observed ability of metal-coordinated tpt to chelate to exogenous silver ions, through its pendant pyrazolyl group and triazinyl N donors. In contrast, the pendant azolyl substituents in silver complexes of the nongelators tpp and tpym only bind exogenous silver in monodentate fashion.

| S-EPMC6644042 | 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.

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Aqua-trinitrato[2,4,6-tris-(pyridin-2-yl)-1,3,5-triazine]neodymium(III) dihydrate.

Project description:In the title compound, [Nd(NO(3))(3)(C(18)H(12)N(6))(H(2)O)]·2H(2)O, the Nd(3+) ion is in a distorted bicapped square-anti-prismatic geometry formed by three N atoms from the 2,4,6-tris-(pyridin-2-yl)-1,3,5-triazine (TPTZ) ligand, six O atoms from the three nitrate anions and one O atom from the aqua ligand. The mol-ecules are linked by O-H?O and O-H?N hydrogen bonds. Two types of ?-? stacking inter-actions occur between the TPTZ ligands of adjacent complexes [centroid-to-centroid distances = 3.760?(4) and 3.870?(3)?Å].

| S-EPMC3120505 | biostudies-other

Synthesis and structure of 2,4,6-tri-cyclo-butyl-1,3,5-trioxane.

Project description:The synthesis and structure of 2,4,6,-tri-cyclo-butyl-1,3,5-trioxane, C15H24O3 1, is described. It was formed in 39% yield during the work-up of the Swern oxidation of cyclo-butyl-methanol and may serve as a stable precursor of the cyclo-butane carbaldehyde. The mol-ecule of 1 occupies a special position (3.m) located at the center of its 1,3,5-trioxane ring. The latter is in a chair conformation, with the symmetry-independent O and C atoms deviating by 0.651 (4) Å from the least-squares plane of the other atoms of the trioxane ring. All three cyclo-butane substituents, which have a butterfly conformation with an angle between the two planes of 25.7 (3)°, are in the cis conformation relative to the 1,3,5-trioxane ring. Inter-molecular C-H⋯O inter-actions between the 1,3,5-trioxane rings consolidate the crystal structure, forming stacks along the c-axis direction. The crystal studied was refined a as a racemic twin.

| S-EPMC6829721 | biostudies-literature

A cobalt complex with 2,4,6-tris(di-2-pyridylamine)-1,3,5-triazine: antiferromagnetic couple governed single-molecule-magnet behaviour.

Project description:One cobalt complex with distorted trigonal antiprismatic geometry was obtained using 2,4,6-tris(di-2-pyridylamine)-1,3,5-triazine (dipyatriz) as the ligand. X-ray crystallography showed the complex possessing a pair of metal centers, had an antiferromagnetic coupling between two Co(ii) ions. Further studied showed a field-induced slow relaxation under H dc = 0.8 kOe. The peak of out-of-phase was observed after 1000 Hz, which exhibited a moderate slow-relaxation behaviour comparing to the magnetic couple for single Co(ii) complex. This study may provide some strategies on designing new functional molecular magnetic materials with distinct magnetic properties and diverse the structures.

| S-EPMC8696572 | biostudies-literature

1,3,5-Tris(4-meth-oxy-phen-yl)-1,3,5-triazinane-2,4,6-trione.

Project description:The complete mol-ecule of the title compound, C24H21N3O6, is generated by the application of threefold rotation symmetry about an axis perpendicular to the central ring. The mol-ecule exhibits a propeller-like shape. The dihedral angle between each benzene ring and the heterocyclic ring is 74.0 (1)°. The mol-ecules pack with no specific inter-molecular inter-actions between them. The SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155] was used to model disordered solvent mol-ecules, presumed to be acetone; the calculated unit-cell data do not take into account the presence of these.

| S-EPMC3998286 | biostudies-literature

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