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Methyl 2-(4,6-dichloro-1,3,5-triazin-2-yl-amino)acetate.

ABSTRACT: The title compound, C(6)H(6)Cl(2)N(4)O(2), was prepared by the nucleophilic substitution of 2,4,6-trichloro-1,3,5-triazine by glycine methyl ester hydro-chloride, and was isolated from the reaction by using flash chromatography. The crystal structure at 150 K reveals the presence two crystallographically independent mol-ecules in the asymmetric unit which differ in the orientation of the pendant methoxy-carbonyl group. Each mol-ecular unit is engaged in strong and highly directional N-H⋯N hydrogen-bonding inter-actions with a symmetry-related mol-ecule, forming supra-molecular dimers which act as the synthons in the crystal packing.

SUBMITTER: Vilela SM

PROVIDER: S-EPMC2977099 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-(4,6-Dichloro-1,3,5-triazin-2-yl)-2,2-dimethyl-1,3-oxazolidine.

Project description:In the title compound, C(8)H(10)Cl(2)N(4)O, the dichloro-substituted triazine ring and the quasi-plane of the five-membered dimethyl-substituted oxazolidine unit, in which the O atom lies 0.228 (1) Å out of the least-squares plane, are close to being coplanar [dihedral angle = 4.99 (10)°]. In the crystal, mol-ecules are linked by inter-molecular C-H⋯Cl inter-actions, forming chains extend along the a axis. Also present are weak π-π inter-actions between triazine rings [minimum ring centroid separation = 3.7427 (11) Å].

| S-EPMC3393952 | biostudies-literature

2,2'-{[4,6-Bis(octyl-amino)-1,3,5-triazin-2-yl]aza-nedi-yl}diethanol.

Project description:In the title compound, C(23)H(46)N(6)O(2), the two hy-droxy groups are located on opposite sides of the triazine ring. One of the hy-droxy groups links with the triazine N atom via an intra-molecular O-H?N hydrogen bond. Inter-molecular O-H?N and N-H?O hydrogen bonding is observed in the crystal structure. ?-? stacking is also observed between parallel triazine rings of adjacent mol-ecules, the centroid-centroid distance being 3.5944?(14)?Å.

| S-EPMC3295417 | biostudies-literature

Bis(4,4'-bipyrid-yl)bis{2-[4,6-bis-(carboxy-methyl-sulfan-yl)-1,3,5-triazin-2-ylsulfan-yl]acetato}zinc(II).

Project description:In the title compound, [Zn(C(9)H(8)N(3)O(6)S(3))(2)(C(10)H(8)N(2))(2)], the central Zn(II) ion, situated on a center of inversion, adopts an octa-hedral geometry coordinated by four O atoms from two carboxyl-ate groups and two carboxylic groups of two symmetry-related TTTA ligands and two N atoms from two bpy mol-ecules {TTTA is 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(sulfanedi-yl)]triacetic acid and bpy is 4,4'-bipyridine}. These mononuclear units are connected through complementary O-H⋯X hydrogen bonds, as well as through weak C-H⋯X (X = O and N) inter-actions, resulting in a three-dimensional supra-molecular architecture.

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9-{4-[(E)-2-(4,6-Dimethyl-1,3,5-triazin-2-yl)ethen-yl]phen-yl}-9H-carbazole.

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Project description:The title compound, [Zn(2)(C(42)H(38)N(9)O(3))(2)(NO(3))(2)]·2CH(3)CN·0.5H(2)O, is a bis-phenolate-bridged dinuclear Zn(II) complex. The asymmetric unit comprises half the zinc complex (the full complex is completed by the application of a centre of inversion), one acetonitrile solvent mol-ecule and a quarter of a water mol-ecule (located on a twofold axis with half-occupancy; H atoms were not located for this mol-ecule). Each triazine-based multidentate ligand uses a phenolate group to bridge Zn(II) ions, generating a Zn(2)O(2) core. The Zn(II) ions are five-coordinate, with an additional long Zn-O contact [2.6465 (16) Å], and include a semi-bidentate nitrate ion and a N,N',O-tridentate mode of the ligand in the coordination sphere. Non-coordinating pyridine groups form intra-molecular O-H⋯N hydrogen bonds with phenol groups. As suggested by the short O⋯O donor-acceptor distances between the disordered water molecules and phenol O atoms, these groups also participate in hydrogen bonding.

| S-EPMC3274916 | biostudies-literature

4-Methyl-sulfanyl-6-(4-pyrid-yl)-1,3,5-triazin-2-amine.

Project description:In the title compound, C(9)H(9)N(5)S, the pyridyl and triazine rings make a dihedral angle of 4.8?(2)°. In the crystal, adjacent mol-ecules are bridged by an N-H?N hydrogen bond, forming a helical chain running along the b axis.

| S-EPMC3089193 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-methyl-1,3,5-triazin-1-ium tri-chloro-acetate monohydrate.

Project description:The asymmetric unit of the title mol-ecular salt, C4H8N5+·C2Cl3O2-·H2O, coomprises a 2,4-di-amino-6-methyl-1,3,5-triazin-1-ium cation, a tri-chloro-acetate anion and a water mol-ecule of solvation. The protonated N atom of the cation forms a hydrogen bond with a carboxyl O atom of the anion, which also acts as a hydrogen-atom acceptor with the water mol-ecule. The cations form centrosymmetric dimeric units through R22(8) N-H?N bond pairs and are extended into zigzag chains along the c-axis direction, also through similar cyclic R22(8) dual N-H?N hydrogen-bonding inter-actions. The water mol-ecule acts as a dual acceptor forming N-H?O hydrogen bonds between the amine groups of the cations, forming cyclic R23(8) motifs. The second H atom of the water mol-ecule also acts as a donor in an O-H?O hydrogen bond with the second carboxyl O atom, linking the chains along the b-axis direction. These interactions give rise to an overall three-dimensional supra-molecular structure. A Hirshfeld surface analysis was employed in order to study the inter-molecular inter-actions.

| S-EPMC6038629 | biostudies-literature

2-Amino-4,6-dimeth-oxy-pyrimidin-1-ium 2,2-dichloro-acetate.

Project description:In the title salt, C(6)H(10)N(3)O(2) (+)·C(2)HCl(2)O(2) (-), two cations and two anions are linked by N-H?O hydrogen bonds, forming chains along the c axis.

| S-EPMC3379456 | biostudies-literature

2,4-Dichloro-6-(3-methyl-piperidin-1-yl)-1,3,5-triazine.

Project description:In the title compound, C(9)H(12)Cl(2)N(4), the piperidine ring adopts a chair conformation. The electron delocalization of the molecule is indicated by the similar C⋯N distances within the triazine ring and by the double-bond character of the C=N triazine-piperidine connectivity. Weak intra-molecular C-H⋯N hydrogen bonds link the two rings within the mol-ecule, which exhibits a pseudo-mirror plane if the methyl group is ignored. π-π Inter-actions between pairs of triazine rings with stacking distances of 3.521 (7) Å are observed in the crystal structure, generated via crystallographic inversion centers.

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