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

ABSTRACT: 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].

SUBMITTER: Sangeetha V

PROVIDER: S-EPMC3684915 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Nitro-phenol-2,4,6-triamino-1,3,5-triazine-water (2/1/1).

Project description:In the title adduct, 2C(6)H(5)NO(3)·C(3)H(6)N(6)·H(2)O, the melamine and the two independent nitrophenol molecules are essentially planar, with maximum deviations of 0.0294?(10), 0.0706?(12) and 0.0742?(12)?Å, respectively. In the crystal, N-H?N, O-H?N, N-H?O and O-H?O hydrogen bonds link the components into a three-dimensional network. In addition, weak ?-? inter-actions [centroid-centroid distances = 3.728?(3) and 3.749?(3)?Å] are observed.

| S-EPMC3394065 | biostudies-literature

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 ?-? 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-?N,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 ?-? inter-actions between the six-membered rings are present, the shortest centroid-centroid distance being 3.750?(4)?Å.

| S-EPMC3238591 | 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.

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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. ?-? 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

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 ?-? stacking inter-actions [centroid-centroid distance = 3.836?(3)?Å] into a supra-molecular network.

| S-EPMC3099847 | biostudies-other

Poly[[(?(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-other

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

Diacetato-?O;?O,O'-aqua-(2,4,6-tri-2-pyridyl-1,3,5-triazine-?N,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-?O,O')[2,4,6-tri-2-pyridyl-1,3,5-triazine-?N,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

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