Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-1-(3-Formyl-phen-yl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium.

ABSTRACT: In the title zwitterion, C17H12N2O2, the dihedral angle between the benzene ring and naphthalene ring system is 11.76?(7)° and an intra-molecular N-H?O hydrogen bond exists. In the crystal, molecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers.

SUBMITTER: Mili A

PROVIDER: S-EPMC3790373 | biostudies-other | 2013

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(E)-1-(3-Formyl-phen-yl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium.

Mili Assia A Benosmane Ali A Benaouida Mohamed Amine MA Bouchoul Abdelkader A Bouaoud Salah Eddine SE

Acta crystallographica. Section E, Structure reports online 20130904 Pt 10

In the title zwitterion, C17H12N2O2, the dihedral angle between the benzene ring and naphthalene ring system is 11.76 (7)° and an intra-molecular N-H⋯O hydrogen bond exists. In the crystal, molecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers. ...[more]

PMID: 24098195

Similar Datasets

4-[(3-Formyl-4-hydroxy-phen-yl)diazen-yl]-N-(pyrimidin-2-yl)benzene-sulfonamide.

Project description:The title mol-ecule, C(17)H(13)N(5)O(4)S, has a trans configuration with respect to the diazenyl (azo) group. The pyrimidine ring and the terminal benzene ring are inclined at angles of 89.38?(4) and 1.6?(6)°, respectively, with respect to the central benzene ring. The conformation of the mol-ecule is in part stabilized by an intra-molecular O-H?O hydrogen bond. In the crystal structure, mol-ecules related through inversion centers form hydrogen-bonded dimers involving the sulfon-amide N-H group and the N atom of the pyrimidine ring.

| S-EPMC2960714 | biostudies-literature

(E)-1-(3-Chloro-phen-yl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium.

Project description:The title zwitterion,, C16H11ClN2O, is approximately planar, the dihedral angle between the benzene ring and naphthalene ring system is 1.55?(13)°; an intra-molecular N-H?O hydrogen bond stabilizes the planar conformation. In the crystal, ?-? stacking between the benzene ring and the naphthalene ring system of adjacent mol-ecules links the mol-ecules into supra-molecular chains running along the b axis, the centroid-centroid distance being 3.765?(2)?Å.

| S-EPMC3772459 | biostudies-literature

1-(3-Acetyl-phen-yl)-2-(2-oxidonaph-thalen-1-yl)diazen-1-ium.

Project description:The title compound, C18H14N2O2, crystallized with two independent zwitterion mol-ecules (A and B) in the asymmetric unit. They are both close to planar, the dihedral angle between the benzene ring and naphthalene ring system being 4.30?(9)° in A and 4.69?(9)° in B. Each mol-ecule has an E conformation with respect to the azo double bond. In each of the independent mol-ecules, an intra-molecular N-H?O hydrogen bond forms an S(6) ring motif. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming -A-A-A- and -B-B-B- chains parallel to one another and propagating along the a-axis direction. There are also ?-? inter-actions between adjacent mol-ecules involving benzene and naphthalene rings [centroid-centroid distance of 3.626?(3)?Å for adjacent A mol-ecules and 3.652?(3)?Å for adjacent B mol-ecules].

| S-EPMC3772484 | biostudies-literature

(E)-1-[2-(2-Cyano-phen-yl)diazen-2-ium-1-yl]naphthalen-2-olate.

Project description:There are two independent zwitterion mol-ecules (A and B) in the asymmetric unit of the title compound, C17H11N3O, which belongs to the family of azo dyes. The dihedral angle between the benzene ring and the naphthalene ring system is 6.99?(6)° in mol-ecule A and 4.38?(6)° in mol-ecule B. The azo group adopts an E conformation with respect to the -N=N- bond and each of the independent mol-ecules has an intra-molecular N-H?O hydrogen bond. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds, forming ribbons propagating along [-110]. The ribbons are linked via ?-? inter-actions involving the benzene and naphthalene rings of inversion-related A and inversion-related B mol-ecules, forming a three-dimensional structure. The most significant centroid-centroid distances vary from 3.6599?(6) to 3.7538?(9)?Å.

| S-EPMC3770433 | biostudies-literature

2-{2-[4-(Dimethyl-amino)-phen-yl]diazen-1-ium-1-yl}pyridinium tetra-chlorido-zincate.

Project description:The title compound, (C(13)H(16)N(4))[ZnCl(4)], consists of a tetra-hedral [ZnCl(4)](2-) anion and a 2-{2-[4-(dimethyl-amino)-phen-yl]diazen-1-ium-1-yl}pyridinium dication. The pyridinium-N atom is syn to the azo bond which allows for the formation of an intramolecular N-H?N hydrogen bond. In the crystal, the cation and anion are held together by N-H?Cl hydrogen-bond inter-actions involving the pyridinium and diazen-1-ium N atoms. ?-? stacking inter-actions occur between the pyridine and benzene rings of adjacent cations [centroid-centroid distances = 3.6270?(18) and 3.8685?(18)?Å]; the stacks are parallel to the a axis.

| S-EPMC3379178 | biostudies-literature

1-(4-Hy-droxy-phen-yl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium methanol hemisolvate.

Project description:In the title compound, C16H12N2O2·0.5CH3OH, the H atom of the -OH group has been transfered to the N atom in the azo group, forming a zwitterion. Hence, there is an intra-molecular N-H?O, rather than an O-H?N, hydrogen bond in the mol-ecule. The mol-ecule is almost planar, the dihedral angle between the benzene ring and the mean plane of the naphthalene ring system being 4.51?(6)°. In the crystal, mol-ecules are linked to and bridged by O-H?O hydrogen bonds involving the methanol mol-ecule, which is located about a twofold rotation axis, and hence half-occupied, forming zigzag chains along [001]. Mol-ecules are also linked via C-H?? and ?-? inter-actions, the latter involving adjacent benzene and naphthalene rings and having a centroid-centroid distance of 3.6616?(13)?Å, forming a three-dimensional network.

| S-EPMC3685028 | biostudies-literature

{4-[(3-Formyl-4-hy-droxy-phen-yl)diazen-yl]benzoato}triphenyl-tin.

Project description:In the title compound, [Sn(C(6)H(5))(3)(C(14)H(9)N(2)O(4))], the Sn atom has a distorted tetra-hedral geometry with one of the carboxyl-ate O atoms and the C atoms from three phenyl groups. The other carboxyl-ate O atom of the benzoate ligand inter-acts weakly with the Sn atom, with an Sn?O distance of 2.790?(2)?Å, which causes a distortion of the tetra-hedral coordination geometry.

| S-EPMC3007285 | biostudies-other

1-{5-[(E)-(4-Propyl-phen-yl)diazen-yl]-2-hy-droxy-phen-yl}ethanone.

Project description:The mol-ecular geometry of the title compound, C(17)H(18)N(2)O(2), displays an E configuration with respect to the azo group. The dihedral angle between the aromatic rings is 10.39?(4)°. In the mol-ecule, an intra-molecular O-H?O hydrogen bond generates an S(6) ring motif.

| S-EPMC3052044 | biostudies-literature

(E)-1-{2-Hy-droxy-5-[(4-methyl-phen-yl)diazen-yl]phen-yl}ethanone.

Project description:The structure of the title compound, C(15)H(14)N(2)O(2), an azo dye, displays a trans configuration with respect to the N=N bridge. The dihedral angle between the aromatic rings is 5.06?(8)°. The mol-ecular conformation is stabilized by a strong intra-molecular O-H?O hydrogen bond. In the crystal, inter-molecular C-H?O hydrogen bonds occur.

| S-EPMC3051465 | biostudies-literature

1-{5-[(E)-(2-Fluoro-phen-yl)diazen-yl]-2-hy-droxy-phen-yl}ethanone.

Project description:Theere are two independent mol-ecules in the asymmetric unit of the title compound, C(14)H(11)FN(2)O(2), each with a trans configuration with respect to the azo double bond. The dihedral angle between the aromatic rings is 17.21 (2)° in one mol-ecule and 19.06 (2)° in the other. Each of the independent mol-ecules has an intra-molecular O-H⋯O hydrogen bond. In the crystal, mol-ecules are stacked along [100].

| S-EPMC3051973 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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