Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N,N,N-Tetra-ethyl-6-{2-[(E)-1-(4-nitro-phen-yl)ethyl-idene]hydrazino}-1,3,5-triazine-2,4-diamine.

ABSTRACT: The title compound, C(19)H(28)N(8)O(2), was prepared by the reaction of N(2),N(2),N(4),N(4)-tetra-ethyl-6-hydrazino-1,3,5-triazine-2,4-diamine and 1-(4-nitro-phen-yl)ethanone in ethanol at room temperature. The mol-ecular conformation is stabilized by intra-molecular C-H?N hydrogen-bonding inter-actions. There are also inter-molecular N-H?O hydrogen bonds, and C-H?? and ?-? inter-actions, which help to stabilize the crystal structure. The centroid-centroid distance is 3.6172?(10)?Å between adjacent benzene and 1,3,5-triazine rings.

SUBMITTER: Pan XR

PROVIDER: S-EPMC2977253 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N,N,N-Tetra-ethyl-6-{2-[(E)-1-(4-nitro-phen-yl)ethyl-idene]hydrazino}-1,3,5-triazine-2,4-diamine.

Pan Xiao-Ru XR Jian Fang-Fang FF

Acta crystallographica. Section E, Structure reports online 20090711 Pt 8

The title compound, C(19)H(28)N(8)O(2), was prepared by the reaction of N(2),N(2),N(4),N(4)-tetra-ethyl-6-hydrazino-1,3,5-triazine-2,4-diamine and 1-(4-nitro-phen-yl)ethanone in ethanol at room temperature. The mol-ecular conformation is stabilized by intra-molecular C-H⋯N hydrogen-bonding inter-actions. There are also inter-molecular N-H⋯O hydrogen bonds, and C-H⋯π and π-π inter-actions, which help to stabilize the crystal structure. The centroid-centroid distance is 3.6172 (10) Å between adjac ...[more]

PMID: 21583544

Similar Datasets

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

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

3-{1-[(2,4-Dinitrophenyl)hydrazino]-ethyl-idene}-5-(1-methylpropyl)pyrrolidine-2,4-dione.

Project description:In the title compound, C(16)H(19)N(5)O(6), two intramolecular N-H⋯O hydrogen bonds help to establish the conformation. In the crystal, intermolecular N-H⋯O links result in chains propagating in [010].

| S-EPMC2977683 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(3-nitro-phen-yl)ethyl-idene]hydrazine.

Project description:In the asymmetric unit of the title compound, C(14)H(11)N(5)O(6), there are three crystallographically independent mol-ecules with similar conformations but some differences in bond angles. The mol-ecules are slightly twisted with the dihedral angles between the benzene rings being 10.02 (14), 8.41 (15) and 1.40 (14)°. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions into a three-dimensional network. π-π inter-actions with centroid-centroid distances of 3.5635 (17)-3.8273 (18) Å are observed.

| S-EPMC3435706 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(2-nitro-phen-yl)ethyl-idene]hydrazine.

Project description:The title compound, C(14)H(11)N(5)O(6), was obtained from the condensation reaction of 2,4-dinitro-phenyl-hydrazine and 2-nitro-acetophenone. The mol-ecule displays an E conformation about the C=N double bond and an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. The dihedral angle between the benzene rings is 7.84 (6)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance = 3.6447 (8) Å] into a three-dimensional network.

| S-EPMC3247472 | biostudies-literature

2,4-Bis(morpholin-4-yl)-6-phen-oxy-1,3,5-triazine.

Project description:In the title compound, C(17)H(21)N(5)O(3), the dihedral angle between the triazine and the phenyl ring is 80.31 (11)°. One of the morpholine rings is disordered over two orientations with site occupancies of 0.762 (10) and 0.238 (10). Both morpholine rings in the mol-ecule adopt chair conformations.

| S-EPMC3200637 | biostudies-literature

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

Project description: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.

| S-EPMC2972005 | biostudies-literature

N'-[1-(4-Nitro-phen-yl)ethyl-idene]acetohydrazide.

Project description:The title compound, C(10)H(11)N(3)O(3), was prepared by the reaction of acetohydrazide and 1-(4-nitro-phen-yl)ethanone. The asymmetric unit contains two crystallographically independent mol-ecules. Inversion-related mol-ecules form dimers, in which two N-H⋯O hydrogen bonds generate an inter-molecular R(2) (2)(8) ring.

| S-EPMC2967984 | biostudies-literature

Adipic acid-2,4-diamino-6-(4-meth-oxy-phen-yl)-1,3,5-triazine (1/2).

Project description:The asymmetric unit of the title compound, 2C(10)H(11)N(5)O·C(6)H(10)O(4), consists of a 2,4-diamino-6-(4-meth-oxy-phen-yl)-1,3,5-triazine mol-ecule and one-half mol-ecule of adipic acid which lies about an inversion center. The triazine ring makes a dihedral angle of 12.89?(4)° with the adjacent benzene ring. In the crystal, the components are linked by N-H?O and O-H?N hydrogen bonds, thus generating a centrosymmetric 2 + 1 unit of triazine and adipic acid mol-ecules with R(2) (2)(8) motifs. The triazine mol-ecules are connected to each other by N-H?N hydrogen bonds, forming an R(2) (2)(8) motif and a supra-molecular ribbon along the c axis. The 2 + 1 units and the supra-molecular ribbons are further inter-linked by weak N-H?O, C-H?O and C-H?? inter-actions, resulting in a three-dimensional network.

| S-EPMC3470311 | 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