Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Amino-5-(2-hydroxy-benzyl-idene-amino)benzene-1,2-dicarbonitrile.

ABSTRACT: A new tetra-dentate unsymmetrical Schiff base, C(15)H(10)N(4)O, has been synthesized from 4,5-dicyano-o-phenyl-enediamine and o-vanillin in refluxing ethanol. The dihedral angle between the two benzene rings is 39.0?(1)°. There are intra-molecular O-H?N and weak inter-molecular N-H?O and N-H?N inter-actions.

SUBMITTER: Cheng Y

PROVIDER: S-EPMC2977663 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Amino-5-(2-hydroxy-benzyl-idene-amino)benzene-1,2-dicarbonitrile.

Cheng Yan Y Gao Jing J

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5

A new tetra-dentate unsymmetrical Schiff base, C(15)H(10)N(4)O, has been synthesized from 4,5-dicyano-o-phenyl-enediamine and o-vanillin in refluxing ethanol. The dihedral angle between the two benzene rings is 39.0 (1)°. There are intra-molecular O-H⋯N and weak inter-molecular N-H⋯O and N-H⋯N inter-actions. ...[more]

PMID: 21584006

Similar Datasets

(E)-4-[(2-Hydroxy-benzyl-idene)amino]benzene-sulfonic acid.

Project description:The title mol-ecule, C(13)H(11)NO(4)S, displays a trans configuration with respect to the imine C=N double bond. The central benzene ring directly linked to N and the hydroxyl group are disordered over two orientations [occupancies of 0.510?(16)/0.490?(16) and 0.528?(8)/0.472?(8), respectively]. The dihedral angle between the two aromatic rings is 23.3?(5)° for the major component and 18.3?(5)° for the minor component. There is an intra-molecular O-H?N hydrogen bond and mol-ecules are linked into chains along the a axis by O-H?O hydrogen bonds.

| S-EPMC2961500 | biostudies-literature

4-[(E)-(5-Chloro-2-hydroxy-benzyl-idene)amino]benzene-sulfonamide.

Project description:In the mol-ecule of title compound, C(13)H(11)ClN(2)O(3)S, the aromatic rings are oriented at a dihedral angle of 12.27?(3)°. An intra-molecular O-H?N hydrogen bond results in the formation of a planar (mean deviation 0.0083?Å) six-membered ring, which is nearly coplanar with the adjacent ring at a dihedral angle of 2.36?(13)°. In the sulfonamide group, the S atom is 0.457?(3)?Å from the plane through the O and N atoms. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules.

| S-EPMC2967971 | biostudies-literature

4-[(4-Diethyl-amino-2-hydroxy-benzyl-idene)ammonio]-3-methyl-benzene-sulfonate.

Project description:In the zwitterionic title compound, C(18)H(22)N(2)O(4)S, the dihedral angle between the aromatic rings is 16.39?(11)° and an intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming chains propagating in [01].

| S-EPMC2971024 | biostudies-literature

4-{2-[(5-Bromo-2-hydroxy-benzyl-idene)amino]eth-yl}benzene-sulfonamide.

Project description:In the title compound, C(15)H(15)BrN(2)O(3)S, the dihedral angle between the benzene rings is 6.1?(2)° and an intra-molecular O-H?N hydrogen bond helps to establish the conformation. In the crystal structure, the mol-ecules are linked by way of N-H?O and C-H?O hydrogen bonds.

| S-EPMC2970355 | biostudies-literature

Penta-aqua-bis[4-(2-hydroxy-benzyl-idene-amino)benzene-sulfonato]lead(II).

Project description:In the structure of the title compound, [Pb(C(13)H(10)NO(4)S)(2)(H(2)O)(5)], two S-O bonds and one C-N bond have lengths of 1.421?(9), 1.425?(8) and 1.268?(11)?Å, respectively, which suggests they are double bonds. Mol-ecules form a two-dimensional layered structure via O-H?O and O-H?N inter-actions. The Pb atom adopts distorted cubo-octahedral coordination.

| S-EPMC2968621 | biostudies-literature

4-{2-[(5-Chloro-2-hydroxy-benzyl-idene)amino]eth-yl}benzene-sulfonamide.

Project description:In the mol-ecule of the title compound, C(15)H(15)ClN(2)O(3)S, the S atom adopts a distorted tetra-hedral coordination geometry with two O atoms, one N atom of the amide group and one C atom of the aromatic ring. An intra-molecular O-H⋯N hydrogen bond results in the formation of a planar six-membered ring, which is oriented with respect to the adjacent aromatic ring at a dihedral angle of 3.38 (11)°. Thus, the two rings are nearly coplanar. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2960939 | biostudies-literature

4-(4-Diethyl-amino-2-hydroxy-benzyl-idene-ammonio)-3-methyl-benzene-sulfonate dihydrate.

Project description:In the crystal of the title compound, C(18)H(22)N(2)O(4)S·2H(2)O, mol-ecules are linked into a one-dimensional chain structure by C-H?O, N-H?O, O-H?O and O-H?N hydrogen bonds.

| S-EPMC2970384 | biostudies-literature

N-(2,3-Dihydro-1,3-thia-zol-2-yl-idene)-4-[(2-hydroxy-benzyl-idene)amino]benzene-sulfonamide.

Project description:The title compound, C(16)H(13)N(3)O(3)S(2), was prepared by reaction of salicylaldehyde and sulfathia-zole in methanol. The dihedral angle between the central benzene ring and the thia-zole ring is 85.2 (2)° and that between the two benzene rings is 17.9 (2)°. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are held together by inter-molecular N-H⋯N and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

| S-EPMC2969909 | biostudies-literature

4,5-Diamino-benzene-1,2-dicarbonitrile.

Project description:The mol-ecular skeleton of the title mol-ecule, C(8)H(6)N(4), is essentially planar [maximum deviation from the mean plane of 0.037 (2) Å]. All N atoms are involved in the formation of inter-molecular N-H⋯N hydrogen bonds. The crystal packing exhibits also dipole-dipole inter-actions between the cyano groups of neighbouring mol-ecules [C⋯C 3.473 (2) Å].

| S-EPMC2969096 | biostudies-literature

4-(2-Hydroxy-benzyl-idene-amino)-benzonitrile.

Project description:The mol-ecule of the title compound, C(14)H(10)N(2)O, is nearly planar. There is a strong intra-molecular O-H?N hydrogen bond between the imine and hydr-oxy groups. The configuration with respect to the C=N double bond is anti (1E).

| S-EPMC2961783 | 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