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

ABSTRACT: 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].

SUBMITTER: Zou YC

PROVIDER: S-EPMC3393952 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description: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.

| S-EPMC2977099 | 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

5,5'-[(2,4-Dichloro-phen-yl)methyl-ene]bis-(2,2-dimethyl-1,3-dioxane-4,6-dione).

Project description:The title compound, C(19)H(18)Cl(2)O(8), was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 2,4-dichloro-benzaldehyde in ethanol. The two 1,3-dioxane rings exhibit boat conformations. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?Cl hydrogen bonds, forming chains parallel to the a axis.

| S-EPMC3212288 | biostudies-literature

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

Project description:In the crystal structure of the title compound, C(25)H(20)N(4), the triazinyl ring is nearly coplanar with the planar (r.m.s. deviation = 0.028?Å) phenyl-ethenyl unit, the twist being only 5.8?(2)°; however, the planar carbazolyl unit (r.m.s. deviation = 0.008?Å) is twisted by 47.8?(1)° with respect to the phenyl-ethenyl unit. The nonplanar nature of the mol-ecule explains the phenomenon of light emission at short wavelengths in the solid state but at long wavelengths in solution.

| S-EPMC2970030 | biostudies-literature

(4S)-(-)-4-Benzyl-2,2-dimethyl-3-o-toluoyl-1,3-oxazolidine.

Project description:The absolute configuration of the title compound, C(20)H(23)NO(2), has been confirmed as 4S. The benzyl residue and H atom at the asymmetric C-atom centre occupy pseudo-axial and bis-ectional positions, respectively. The oxazolidine ring adopts an envelope conformation. In the crystal structure, the mol-ecular packing is stabilized by non-classical C-H?O hydrogen bonds.

| S-EPMC3009175 | biostudies-literature

2,2-Dimethyl-5-[(pyridin-2-yl-amino)-methyl-idene]-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(12)H(12)N(2)O(4), the dihedral angle between the pyridine and enamine planes is 3.5?(3)°, while the angle between the dioxanedione (seven atoms) and enamine planes is 4.6?(3)°. The dioxane ring approximates an envelope conformation.

| S-EPMC3051715 | biostudies-literature

4-[2-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl-idene)hydrazin-1-yl]benzo-nitrile.

Project description:In the title compound, C(13)H(11)N(3)O(4), the dioxane ring adopts an envelope conformation with the C atom bonded to the dimethyl group in the flap position [deviation = 0.613?(1)?Å]. The nitrile group and the attached benzene ring are roughly coplanar [maximum deviation = 0.087?(1)?Å]. An intra-molecular N-H?O hydrogen bond involving the hydrazinyl group generates an S(6) ring. The N-N and C-N bond lengths indicate that the compound may be a mixture of the azo and hydrazone tautomeric forms but the presence of the N-bound H atom supports the hydrazone form. The crystal structure is stabilized by weak inter-molecular C-H?O, C-H?N and C-H?? inter-actions.

| S-EPMC3007023 | biostudies-literature

2-{4-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl-idene)methyl-amino]phen-yl}acetonitrile.

Project description:The title compound, C(15)H(14)N(2)O(4), is approximately planar, with a dihedral angle of 6.48?(4)° between the amino-methyl-ene unit and the planar five-atom part of the dioxane ring, and a dihedral angle of 2.40?(4)° between amino-methyl-ene unit and the phenyl-ene ring. The dioxane ring is envelope shaped, with the dimethyl-substituted C atom that represents the flap 0.535?(8)?Å out of the plane. The mol-ecule has an intra-molecular N-H?O hydrogen bond.

| S-EPMC2969579 | biostudies-literature

2,2-Dimethyl-5-{[(4-nitro-phen-yl)amino]-methyl-idene}-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(13)H(12)N(2)O(6), the dihedral angle between the benzene ring and the amino-methyl-ene unit is 5.42?(16)°, while the angle between the amino-methyl-ene unit and the dioxane ring is 3.06?(43)°. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.464?(10)?Å out of the plane. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, a three-dimensional framework is built up via inter-molecular N-H?O hydrogen bonds.

| S-EPMC3051475 | biostudies-literature

2,2-Dimethyl-5-[(5-methyl-furan-2-yl)methyl-idene]-1,3-dioxane-4,6-dione.

Project description:The asymmetric unit of the title compound, C(12)H(12)O(5), contains two independent mol-ecules. In each, the 1,3-dioxane ring adopts an envelope conformation with the dimethyl-substituted C atom forming the flap. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3051482 | biostudies-literature

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