Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6-Chloro-N,N-di-p-tolyl-1,3,5-triazine-2,4-diamine dimethyl-formamide monosolvate.

ABSTRACT: The title compound, C(17)H(16)ClN(5)·C(3)H(7)NO, was prepared by reaction of p-toluidine with 2,4,6-trichloro-1,3,5-triazine at room temperature. The dihedral angles between the triazine ring and the pendant rings are 3.61?(12) and 53.11?(12)°. An intra-molecular C-H?N inter-action occurs. The packing is stabilized by N-H?N and N-H?O hydrogen bonds and C-H?? and ?-? [centroid-centroid distance = 3.763?(1)?Å] inter-actions.

SUBMITTER: Jian F

PROVIDER: S-EPMC2972005 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

6-Chloro-N,N-di-p-tolyl-1,3,5-triazine-2,4-diamine dimethyl-formamide monosolvate.

Jian Fangfang F Xiao Hailian H Wei Yongxiang Y

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

The title compound, C(17)H(16)ClN(5)·C(3)H(7)NO, was prepared by reaction of p-toluidine with 2,4,6-trichloro-1,3,5-triazine at room temperature. The dihedral angles between the triazine ring and the pendant rings are 3.61 (12) and 53.11 (12)°. An intra-molecular C-H⋯N inter-action occurs. The packing is stabilized by N-H⋯N and N-H⋯O hydrogen bonds and C-H⋯π and π-π [centroid-centroid distance = 3.763 (1) Å] inter-actions. ...[more]

PMID: 21578920

Similar Datasets

6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate.

Project description:The title co-crystal, C4H7N5·C4H10O2, crystallizes with one mol-ecule of 6-methyl-1,3,5-triazine-2,4-diamine (DMT) and one mol-ecule of butane-1,4-diol in the asymmetric unit. The DMT mol-ecules form ribbons involving centrosymmetric R2(2)(8) dimer motifs between DMT mol-ecules along the c-axis direction. These ribbons are further hydrogen bonded to each other through butane-1,4-diol, forming sheets parallel to (121).

| S-EPMC3588973 | 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

6-(4-Meth-oxy-phen-yl)-1,3,5-triazine-2,4-diamine.

Project description:In the title compound, C(10)H(11)N(5)O, the triazine ring forms a dihedral angle of 10.37?(4)° with the benzene ring. In the crystal, adjacent mol-ecules are linked by a pair of N-H?N hydrogen bonds, forming an inversion dimer with an R(2) (2)(8) ring motif. The dimers are further connected via N-H?O and N-H?N hydrogen bonds, resulting in a three-dimensional network.

| S-EPMC3470258 | biostudies-literature

1,3,5-Tris(4-bromo-phen-yl)-1,3,5-triazin-ane di-chloro-methane monosolvate.

Project description:In the main mol-ecule of the title compound, C21H18Br3N3·CH2Cl2, the triazinane ring adopts a chair conformation with three 4-brom-ophenyl substituents, two in diaxial positions and the third in an equatorial arrangement (eaa). The torsion angles around the N-C bonds in the triazinane ring are in the range 55.6?(5)-60.1?(5)°. The structure can be described as being built up of alternating layers along the b axis with the CH2Cl2 solvent mol-ecules sandwiched between these layers. No classical hydrogen-bonding inter-actions are observed in the crystal structure.

| S-EPMC3685111 | biostudies-literature

6-Chloro-N(4),N(4)-dimethyl-pyrimidine-2,4-diamine.

Project description:The asymmetric unit of the title compound, C(6)H(9)ClN(4), contains four independent mol-ecules (A, B, C and D). Their main difference is the torsion angles, ranging from 1.6?(5) to 5.9?(5)°, between the methyl group and the pyrimidine plane. A pair of inter-molecular N-H?N hydrogen bonds link mol-ecules A and C into a twisted dimer with a dihedral angle of 32.9?(1)° between the two pyrimidine rings, creating an R(2) (2)(8) motif. In the packing, each two mol-ecules of B, C and D form centrosymmetric dimers through two inter-molecular N-H?N hydrogen bonds, locally creating R(2) (2)(8) motifs. The dimers of C and D are alternately bridged by A into an infinite zigzag strip, locally creating two different R(2) (2)(8) motifs with dihedral angles of 32.9?(1) and 63.4?(1)° between the pyrimidine rings. Finally, these strips together with the dimers of B associate into a complicated three-dimensional framework.

| S-EPMC3344442 | biostudies-literature

Pyrimidine-2,4-diamine acetone monosolvate.

Project description:In the title compound, C(4)H(6)N(4)·C(3)H(6)O, the pyrimidine-2,4-diamine mol-ecule is nearly planar (r.m.s. deviation = 0.005?Å), with the endocyclic angles covering the range 114.36?(10)-126.31?(10)°. In the crystal, N-H?N and N-H?O hydrogen bonds link the mol-ecules into ribbons along [101], and weak C-H?? inter-actions consolidate further the crystal packing.

| S-EPMC3569783 | biostudies-literature

6-(4-Methyl-phen-yl)-1,3,5-triazine-2,4-di-amine-benzoic acid (1/1).

Project description:The benzoic acid mol-ecule of the title adduct, C10H11N5·C7H6O2, is approximately planar, with a dihedral angle of 7.2?(3)° between the carb-oxy-lic acid group and the benzene ring. In the triazine mol-ecule, the plane of the triazine ring makes a dihedral angle of 28.85?(9)° with that of the adjacent benzene ring. In the crystal, the two components are linked by N-H?O and O-H?N hydrogen bonds with an R 2 (2)(8) motif, thus generating a 1 + 1 unit of triazine and benzoic acid mol-ecules. The acid-base units are further connected by N-H?N hydrogen bonds with R 2 (2)(8) motifs, forming a supra-molecular ribbon along [101]. The crystal structure also features weak ?-? [centroid-centroid distances = 3.7638?(12) and 3.6008?(12)?Å] and C-H?? inter-actions.

| S-EPMC3685106 | biostudies-literature

3-Eth-oxy-2-hy-droxy-benzaldehyde 2,4-di-nitro-phenylhydrazone N,N-di-methyl-formamide monosolvate.

Project description:The Schiff base of the title compound, C(15)H(14)N(4)O(6)·C(3)H(7)NO, was obtained from the condensation reaction of 3-eth-oxy-2-hy-droxy-benzaldehyde and 2,4-dinitro-phenyl-hydrazine. The dihedral angle between the benzene rings is 3.05 (10)° and intra-molecular N-H⋯O and O-H⋯O hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, the Schiff base and dimethyl-formamide solvent mol-ecules are linked by an O-H⋯O hydrogen bond.

| S-EPMC3007826 | biostudies-literature

6-Chloro-2,4-bis-(dimethyl-amino)-1,3,5-trimethyl-borazine.

Project description:The borazine ring of the title mol-ecule, C(7)H(21)B(3)ClN(5), shows a mild distortion from a planar to a flattened boat conformation. Steric effects due to the methyl and dimethyl-amine substituents appear to be the cause of this distortion.

| S-EPMC3569828 | biostudies-other

Penta-aqua-(di-methyl-formamide)-cobalt(II) sulfate di-methyl-formamide monosolvate.

Project description:The title compound, [Co(C3H7NO)(H2O)5]SO4·C3H7NO, contains five aqua ligands, a Co(II) atom, a sulfate ion and both a coordinating and a non-coordinating di-methyl-formamide (DMF) mol-ecule. The DMF solvent mol-ecule lies between the complex units, which are located along the b axis. The sulfate ion is for charge balance. The Co(II) atom has distorted octa-hedral coordination geometry, being ligated by five aqua ligands and the O atom of the DMF ligand. O-H?O hydrogen bonds between the aqua ligands and the sulfate anion and non-coordinating DMF molecule lead to the formation of a three-dimensional network. Since all constituents lie on a mirror plane, the H atoms of all methyl groups and of one of the aqua ligands are equally disordered over two positions.

| S-EPMC3772413 | 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