Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-(2,4-Dihydroxy-benzyl-ideneamino)benzonitrile.

ABSTRACT: The mol-ecule of the title compound, C(14)H(10)N(2)O(2), adopts the phenol-imine tautomeric form. The dihedral angle between the planes of the two benzene rings is 13.84?(13)°. A strong intra-molecular O-H?N hydrogen-bonding inter-action stabilizes the mol-ecular conformation. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by inter-molecular C-H?O and O-H?N hydrogen bonds.

SUBMITTER: Liu T

PROVIDER: S-EPMC2969512 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(E)-2-(2,4-Dihydroxy-benzyl-ideneamino)benzonitrile.

Liu Ting T

Acta crystallographica. Section E, Structure reports online 20090606 Pt 7

The mol-ecule of the title compound, C(14)H(10)N(2)O(2), adopts the phenol-imine tautomeric form. The dihedral angle between the planes of the two benzene rings is 13.84 (13)°. A strong intra-molecular O-H⋯N hydrogen-bonding inter-action stabilizes the mol-ecular conformation. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by inter-molecular C-H⋯O and O-H⋯N hydrogen bonds. ...[more]

PMID: 21582801

Similar Datasets

2-(2-Hydroxy-benzyl-ideneamino)benzonitrile.

Project description:The mol-ecule of the title compound, C(14)H(10)N(2)O, displays a trans configuration with respect to the C=N double bond. The mol-ecule is roughly planar; the two aromatic rings make a dihedral angle of 9.3?(3)°. Such a planar conformation is induced by the strong intra-molecular O-H?N hydrogen bond between the imine and hydroxyl groups.

| S-EPMC2961580 | biostudies-literature

3-(2-Hydroxy-benzyl-ideneamino)benzonitrile.

Project description:In the title mol-ecule, C(14)H(10)N(2)O, an intra-molecular O-H?N hydrogen bond contributes to the essential coplanarity of the two benzene rings, which form a dihedral angle of 6.04?(18)°.

| S-EPMC2960747 | biostudies-literature

3-[4-(Dimethyl-amino)benzyl-ideneamino]benzonitrile.

Project description:The mol-ecule of the title Schiff base, C(16)H(15)N(3), is non-planar and displays a trans configuration with respect to the C=N double bond. The two benzene rings make a dihedral angle of 49.24?(3)°.

| S-EPMC2977646 | biostudies-literature

(E)-4-[4-(Dimethyl-amino)benzyl-ideneamino]benzonitrile.

Project description:The mol-ecule of the title compound, C(16)H(15)N(3), displays a trans configuration with respect to the C=N double bond. The mol-ecule is not planar, the dihedral angle between the benzene rings being 57.83 (9)°. The crystal packing is stabilized only by van der Waals inter-actions.

| S-EPMC2972009 | biostudies-literature

(Z)-6-{2-[(E)-2,4-Dihydroxy-benzyl-ideneamino]phenyl-amino-methyl-ene}-3-hydroxy-cyclo-hexa-2,4-dienone toluene solvate.

Project description:The bis-Schiff base title compound, C(20)H(16)N(2)O(4)·C(7)H(8), crystallized as a toluene solvate. In the solid state, it is present as its prototropic tautomer formed by transfer of one of the ortho-hydroxyl H atoms. The proton transfer is accompanied by a shift of electron pairs, as is evident from the observed C-O and C-N bond distances of 1.305?(2) and 1.315?(2)?Å, which are largely consistent with C=O and C-N distances. The actual mol-ecule present in the solid state is thus the charge-neutral ?-keto amine, with a small contribution of its zwitterionic valence tautomer via partial delocalization of electron pairs along the N-C-C-C-O atom chain. The dihedral angles between the central benzene ring and the two outer benzene rings of the Schiff base are 51.99?(8) and 12.95?(9)°. Intra-molecular O-H?N and N-H?O hydrogen bonds generate S(6) ring motifs, whereas intra-molecular N-H?N hydrogen bonds generate S(5) ring motifs. In the crystal structure, O-H?O hydrogen bonds and weak C-H?O inter-actions link the mol-ecules into one-dimensional zigzag chains along the b axis; these chains are further stacked by O-H?O and weak C-H?O inter-actions along the c axis, forming two-dimensional extended networks parallel to the bc plane. In addition, the crystal structure is further stabilized by weak C-H?? and ?-? inter-actions.

| S-EPMC2960708 | biostudies-literature

(2,4-Dihydroxy-benzyl-idene)dimethyl-ammonium dichloro-phosphinate.

Project description:In the title compound, C(9)H(12)NO(2) (+)·Cl(2)PO(2) (-), the mol-ecular skeleton of the cation is nearly planar with an r.m.s. deviation of 0.0336?Å. In the crystal structure, inter-molecular O-H?O hydrogen bonds link cations and anions into chains running along [10].

| S-EPMC2968160 | biostudies-literature

4-[(2,4-Dihydroxy-benzyl-idene)ammonio]benzene-sulfonate trihydrate.

Project description:The title Schiff base compound, C(13)H(11)NO(5)S·3H(2)O, formed from sulfanilic acid and 2,4-dihydroxy-benzaldehyde, crystallized out as a zwitterion with the N atom protonated. The asymmetric unit consists of one 4-[(2,4-dihydroxy-benzyl-idene)ammonio]benzene-sulfonate and three water mol-ecules. The zwitterion exists in an E configuration with respect to the central C=N double bond. The two benzene rings of the mol-ecule are oriented at a dihedral angle of 27.33?(8)°. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular structure. In the crystal, the zwitterions are linked into chains along [101] by inter-molecular O-H?O and N-H?O hydrogen bonds. The three water mol-ecules link these chains into a three-dimensional framework by additional inter-molecular O-H?O hydrogen bonds. A ??? inter-action [3.5485?(9)?Å] further stabilizes the crystal structure.

| S-EPMC2983714 | biostudies-literature

(E)-N'-(2,5-Dimethoxy-benzyl-idene)-2,4-dihydroxy-benzohydrazide.

Project description:In the title compound, C(16)H(16)N(2)O(5), the dihedral angle between the two benzene rings is 4.2 (2)° and an intra-molecular O-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked into layers lying parallel to the bc plane by O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC2983919 | biostudies-literature

1-[2-(2,4-Dinitro-benzyl-ideneamino)phen-yl]-3-phenyl-thio-urea.

Project description:In the title compound, C(20)H(15)N(5)O(4)S, the central benzene ring makes dihedral angles of 59.5?(1) and 51.7?(1)°, respectively, with the terminal phenyl and benzene rings. The mol-ecular structure exhibits weak intra-molecular N-H?N and C-H?S inter-actions. In the crystal structure, mol-ecules are linked by weak inter-molecular N-H?S and C-H?O inter-actions, forming a chain along [11].

| S-EPMC2970362 | biostudies-literature

(E)-N'-(3,4-Dimethoxy-benzyl-idene)-2,4-dihydroxy-benzohydrazide methanol solvate.

Project description:The title compound, C(16)H(16)N(2)O(5)·CH(3)OH, was obtained from a condensation reaction of 3,4-dimethoxy-benzaldehyde and 2,4-dihydroxy-benzohydrazide. The non-H atoms of the Schiff base mol-ecule are approximately coplanar (r.m.s. deviation = 0.043?Å) and the dihedral angle between the two benzene rings is 1.6?(1)°. The mol-ecule adopts an E configuration with respect to the C=N double bond. An intra-molecular O-H?O hydrogen bond is observed. The Schiff base and methanol mol-ecules are linked into a two-dimensional network parallel to (10) by inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds.

| S-EPMC2970482 | 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