Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Chloro-2-[(E)-(4-nitro-phen-yl)diazenyl]phenol.

ABSTRACT: The title compound, C(12)H(8)ClN(3)O(3), in the crystalline state and in solution, exists in the azo form, as predicted by density functional theory (DFT) calculations. The mol-ecule is approximately planar [the dihedral angle between the rings is 1.83?(8)°], with the nitro group slightly twisted [13.4?(2)°] relative to the benzene ring. Translationally related mol-ecules form stacks along [010] with an inter-planar distance of 3.400?(2)?Å. The hydroxy group forms an intramolecular hydrogen bond with the azo N atom.

SUBMITTER: Aslanov LA

PROVIDER: S-EPMC2968552 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Chloro-2-[(E)-(4-nitro-phen-yl)diazenyl]phenol.

Aslanov Leonid A LA Paseshnichenko Ksenia A KA Yatsenko Alexandr V AV

Acta crystallographica. Section E, Structure reports online 20090211 Pt 3

The title compound, C(12)H(8)ClN(3)O(3), in the crystalline state and in solution, exists in the azo form, as predicted by density functional theory (DFT) calculations. The mol-ecule is approximately planar [the dihedral angle between the rings is 1.83 (8)°], with the nitro group slightly twisted [13.4 (2)°] relative to the benzene ring. Translationally related mol-ecules form stacks along [010] with an inter-planar distance of 3.400 (2) Å. The hydroxy group forms an intramolecular hydrogen bond ...[more]

PMID: 21582162

Similar Datasets

2-{[3-Chloro-4-(4-chloro-phen-oxy)phen-yl]imino-meth-yl}-4-nitro-phenol.

Project description:In the title compound, C19H12Cl2N2O4, the imine bond length of 1.257?(6)?Å is typical of a double bond. The dihedral angle between the para-nitro benzene ring and the central benzene ring is 12.06?(3)° and that between the central benzene and the para-chloro benzene ring is 73.81?(2)°. An intra-molecular O-H?N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked together by two pairs of C-H?O interactions (to the same O atom acceptor), forming inversion dimers. A short Cl?Cl contact [3.232?(4)?Å] is observed.

| S-EPMC3685046 | biostudies-literature

2-Chloro-4-{(E)-[(4-chloro-phen-yl)imino]-meth-yl}phenol.

Project description:In the title Schiff base compound, C(13)H(9)Cl(2)NO, the dihedral angle between the mean planes of the benzene rings is 10.20?(10)°. The crystal structure is stabilized by O-H?N hydrogen bonds and weak ?-? stacking inter-actions [centroid-centroid distance = 3.757?(1)?Å].

| S-EPMC3295463 | biostudies-literature

4-Chloro-2-[(E)-(2-chloro-phen-yl)imino-meth-yl]phenol.

Project description:The title compound, C(13)H(9)Cl(2)NO, was crystallized from a methanol solution of 5-chloro-salicylaldehyde and o-chloro-aniline. The mol-ecule displays a trans configuration with respect to the imine C=N double bond. The N atom is involved in an intra-molecular O-H?N hydrogen bond. The two aromatic rings are essentially coplanar, the dihedral angle between them being 7.1?(1)°. A C-H?? inter-action is present in the crystal.

| S-EPMC2968492 | biostudies-literature

1-(3-Chloro-phen-yl)-3-(4-nitro-phen-yl)urea.

Project description:In the title compound, C(13)H(10)ClN(3)O(3), prepared by the reaction of 1-chloro-3-isocyanato-benzene with 4-nitro-benzenamine, the two substituent benzene rings are roughly coplanar [inter-ring dihedral angle = 8.70?(7)°]. In the crystal, mol-ecules make cyclic inter-molecular associations through two urea-nitro N-H?O hydrogen bonds, forming a chain structure [give chain direction] in which there are also weak inter-molecular C-H?Cl inter-actions. The urea O atom has only intra-molecular aromatic ring C-H?O associations.

| S-EPMC3009072 | biostudies-literature

2-(4-Chloro-3-nitro-phen-yl)-4-(4-chloro-phen-yl)-1,3-thia-zole.

Project description:The title compound, C(15)H(8)Cl(2)N(2)O(2)S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the 4-chloro-3-nitro-phenyl ring and the thia-zole ring are 0.5?(1) and 7.1?(1)° and those between the 4-chloro-phenyl ring and the thia-zole ring are 7.1?(1) and 7.4?(1)° in the two mol-ecules. The crystal structure is stabilized by inter-molecular C-H?Cl and C-H?O hydrogen bonds.

| S-EPMC2971060 | biostudies-literature

2-[(2-Chloro-phen-yl)(hy-droxy)meth-yl]phenol.

Project description:In the title compound, C13H11ClO2, the dihedral angle between the mean planes of the 2-chloro-phenyl and phenol rings is 87.4?(9)°. The methyl hy-droxy group lies nearly perpendicular to the plane of its attached benzene ring [O-C-C-C torsion angle = 84.3?(3)°]. The two hy-droxy groups lie on the same side of the mol-ecule and are in a slightly twisted gauche conformation [O-C-C-O torsion angle = 77.1?(8)°] to each other. In the crystal, O-H?O hydrogen bonds between nearby methyl-hydroxy groups form dimers in alternating pairs aligned diagonally along the b axis. A view along the c axis reveals a hexa-meric aggregate mediated by a ring of six O-H?O hydrogen bonds generating an R 6 (6)(12) motif loop.

| S-EPMC3793743 | biostudies-literature

2-{(E)-[(2-Methyl-3-nitro-phen-yl)imino]-meth-yl}-4-nitro-phenol.

Project description:The title compound, C14H11N3O5, is a Schiff base that adopts the enol-imine tautomeric form in the solid state. The dihedral angle between the aromatic rings is 37.4?(3)° and the dihedral angles between the nitro groups and their attached rings are 4.0?(6) and 46.2?(8)°. The mol-ecular structure is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked by C-H?O interactions, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3770363 | biostudies-literature

N-(2-Chloro-4-nitro-phen-yl)-2-nitro-benzamide.

Project description:In the title compound, C(13)H(8)ClN(3)O(5), the dihedral angle between the two aromatic rings is 70.74?(6)°. The nitro groups of the Cl-substituted and benzamide benzene rings are twisted by 2.6?(1) and 31.3?(2)°, respectively. The crystal packing shows inter-molecular C-H?O hydrogen bonds that link mol-ecules into sheets stacked along [010].

| S-EPMC2961029 | biostudies-literature

2-[N-(3-Amino-4-nitro-phen-yl)carboximido-yl]phenol.

Project description:The title compound, C(13)H(11)N(3)O(3), is essentially planar (r.m.s. for the 19 non-H atoms = 0.031?Å), a conformation stabilized in part by intra-molecular O-H?N and N-H?O hydrogen bonds. The configuration about the imine bond [1.2919?(12)?Å] is E. The presence of N-H?O(nitro) hydrogen bonds leads to the formation of supra-molecular tapes in the crystal structure. These are connected into layers by ?-? inter-actions [centroid-centroid distance = 3.6046?(6)?Å] occurring between the hy-droxy- and amino-substituted benzene rings.

| S-EPMC3247370 | biostudies-literature

2-[(4-Methoxy-phen-yl)imino-meth-yl]-4-nitro-phenol.

Project description:The title Schiff base compound, C(14)H(12)N(2)O(4), is in an inter-mediate state between NH and OH tautomers. Apart from the intra-molecular O-H⋯N hydrogen bond, there are inter-molecular C-H⋯O hydrogen bonds, generating centrosymmetric R(2) (2)(18) and R(2) (2)(14) dimers.

| S-EPMC2968952 | 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