Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(2-Eth-oxy-phen-yl)-1-(3-nitro-phen-yl)triaz-1-ene.

ABSTRACT: The title compound, C(14)H(14)N(4)O(3), exhibits a trans geometry about the N=N double bond in the triazene unit. The mol-ecule is approximately planar (r.m.s. deviation = 0.044?Å for all non-H atoms). An intra-molecular N-H?O hydrogen bond occurs. In the crystal, C-H?N hydrogen bonds lead to the formation of dimers which are, in turn, connected to each other by C-H?O hydrogen bonds, forming infinite chains of R(2) (2)(8) graph-set motif.

SUBMITTER: Melardi MR

PROVIDER: S-EPMC3239109 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(2-Eth-oxy-phen-yl)-1-(3-nitro-phen-yl)triaz-1-ene.

Melardi Mohammad Reza MR Ghannadan Atefeh A Peyman Mitra M Bruno Giuseppe G Amiri Rudbari Hadi H

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

The title compound, C(14)H(14)N(4)O(3), exhibits a trans geometry about the N=N double bond in the triazene unit. The mol-ecule is approximately planar (r.m.s. deviation = 0.044 Å for all non-H atoms). An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, C-H⋯N hydrogen bonds lead to the formation of dimers which are, in turn, connected to each other by C-H⋯O hydrogen bonds, forming infinite chains of R(2) (2)(8) graph-set motif. ...[more]

PMID: 22199957

Similar Datasets

2-Eth-oxy-4-{[(2-nitro-phen-yl)hydrazono]meth-yl}phenol.

Project description:The title compound, C(15)H(15)N(3)O(4), a Schiff base, was obtained from a condensation reaction of 3-eth-oxy-4-hydroxy-benzaldehyde and 2-nitro-phenyl-hydrazine. The mol-ecule is approximately planar, the largest deviation from the mean plane being 0.1449?(16)?Å. An intramolecular N-H?O inter-action is also present. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules, forming chain parallel to the b axis.

| S-EPMC2970177 | biostudies-literature

1-Eth-oxy-2-meth-oxy-4-[2-(4-nitro-phen-yl)ethen-yl]benzene.

Project description:In the title mol-ecule, C(17)H(17)NO(4), the dihedral angle between the two aromatic rings is 42.47 (7)°. The nitro group is twisted by 7.44 (11)° out of the plane of the ring to which it is attached. The methoxy and ethoxy group O atoms deviate significantly from the phenyl ring [by 0.0108 (11) and 0.0449 (11) Å, respectively]. The crystal structure is stabilized by C-H⋯π inter-actions.

| S-EPMC3435807 | biostudies-literature

Chlorido[1-(2-eth-oxy-phen-yl)3-(4-nitro-phen-yl)triazenido]mercury(II).

Project description:In the title compound, [Hg(C(14)H(13)N(4)O(3))Cl], the Hg(II) atom is four-coordinated by one O atom and two N atoms from a tridentate 1-(2-eth-oxy-phen-yl)-3-(4-nitro-phen-yl)triazenide ligand and one terminal chloride ion in a distorted square-planar geometry. In the crystal structure, the mononuclear complexes are linked into pairs through C-H⋯O and C-H⋯Cl hydrogen bonds as well as π-π and C-H⋯π stacking inter-actions. In addition, weak Hg-μ(6)-arene π-inter-actions [mean distance of 3.667 (2) Å] are present between these dimers. The π-π stacking inter-actions are between aromatic rings with a centroid-centroid distance of 3.884 (2) Å. Moreover, edge-to-face inter-actions are present between eth-oxy CH groups and aromatic rings with H⋯π distances of 2.81 Å.

| S-EPMC3007569 | biostudies-literature

Bis[1-(2-eth-oxy-phen-yl)-3-(4-nitro-phen-yl)triazenido]mercury(II).

Project description:In the title compound, [Hg(C(14)H(13)N(4)O(3))(2)], the central Hg atom (site symmetry 2) is six-coordinated by two tridentate 1-(2-eth-oxy-phen-yl)-3-(4-nitro-phen-yl)triazenide ligands through two N and one O atoms. The mononuclear complex mol-ecules are connected into two parallel chains by inter-molecular C-H⋯O hydrogen-bonding inter-actions. These chains are connected to each other by face-to-edge C-H⋯π inter-actions between the CH of the ethoxy groups and the aromatic rings, resulting in a two-dimensional architecture in the ac plane.

| S-EPMC3007946 | biostudies-literature

4-Eth-oxy-N-(4-eth-oxy-phen-yl)-N-(4-nitro-phen-yl)aniline.

Project description:In the title mol-ecule, C22H22N2O4, the eth-oxy-phenyl rings are oriented at dihedral angles of 69.31?(13) and 75.90?(13)° to the nitro-phenyl ring and are twisted to each other, making a dihedral angle of 78.55?(13)°. In the crystal, weak C-H?O hydrogen bonds and C-H?? inter-action link the mol-ecules into a three-dimensional supra-molecular architecture.

| S-EPMC3884502 | biostudies-other

trans-3-(3,4-Dimeth-oxy-phen-yl)-2-(4-nitro-phen-yl)prop-2-ene-nitrile.

Project description:The asymmetric unit of the title compound, C(17)H(14)N(2)O(4), contains two independent mol-ecules in which the benzene rings are in a trans arrangement with respect to the C=C double bond and the rings are inclined by 4.3?(1) and 22.1?(1)° with respect to each other.

| S-EPMC3006740 | biostudies-literature

<i>N</i>-(4-Eth-oxy-2,5-di-nitro-phen-yl)acetamide.

Project description:In the title compound, C10H11N3O6, the torsion angles about the bonds to the benzene ring are less than 4°, except for the nitro groups, which are twisted out of the ring plane by 25.27 (3) and 43.63 (2)°. The N-H group forms a bifurcated hydrogen bond, with an intra-molecular component to a nitro group O atom and an inter-molecular component to the other nitro group, thereby forming chains propagating in the [010] direction. Several weak C-H⋯O inter-actions are also present.

| S-EPMC9462240 | biostudies-literature

5-{2-(4-Chloro-phen-yl)-1-[2-(4-chloro-phen-yl)-1-(3,4,5-trimeth-oxy-phen-yl)eth-oxy]eth-yl}-1,2,3-trimeth-oxy-benzene.

Project description:The title compound, C(34)H(36)Cl(2)O(7), is a by-product from the reaction of 4-chloro-benzyl-zinc chloride with 3,4,5-trimeth-oxy-benzaldehyde. In each of the two 1,2-diphenyl-ethyl moieties, the two benzene rings are arranged in a trans conformation and make C(ar)-C-C-C(ar) torsion angles of 163.64 (19) and 174.43 (18)°. The crystal structure is stabilized by van der Waals inter-actions only.

| S-EPMC3343973 | biostudies-literature

Ethyl N-[2-(4-phen-oxy-phen-oxy)eth-yl]carbamate.

Project description:The title compound, C(17)H(19)NO(4), which is a non-toxic insect growth regulator with the common name fenoxycarb, contains two independent and conformationally different mol-ecules in the asymmetric unit. Although the inter-ring dihedral angles are similar [62.21?(15) and 63.00?(14)°], the side-chain orientations differ. In the crystal, the mol-ecules are linked through N-H?O hydrogen-bonding associations, giving chains which extend along [110], while intra- and inter-molecular aromatic C-H?? inter-actions give sheet structures parallel to [110].

| S-EPMC3470196 | biostudies-literature

Crystal structure of 8-eth-oxy-3-(4-nitro-phen-yl)-2H-chromen-2-one.

Project description:In the title compound, C17H13NO5, the coumarin ring system is essentially planar (r.m.s. deviation = 0.008?Å). The nitro-phenyl ring makes a dihedral angle of 25.27?(9)° with the coumarin ring plane. The nitro group is almost coplanar with the phenyl ring to which it is attached, making a dihedral angle of 4.3?(3)°. The eth-oxy group is inclined to the coumarin ring plane by 4.1?(2)°. Electron delocalization was found at the short bridging C-C bond with a bond length of 1.354?(2)?Å. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming sheets in the bc plane. The sheets are linked via ?-? stacking [centroid-centroid distances = 3.5688?(13) and 3.7514?(13)?Å], forming a three-dimensional structure.

| S-EPMC4645040 | 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