Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-(2H-Benzotriazol-2-yl)-4-methyl-6-(phenyl-imino-meth-yl)phenol.

ABSTRACT: In the title compound, C(20)H(16)N(4)O, the non-H atoms of the benzotriazole ring system and those of the methyl-phenol group are essentially coplanar, with an r.m.s. deviation of 0.004?(2)?Å. The mean plane of these atoms forms a dihedral angle of 60.9?(2)° with the phenyl ring. There is an intra-molecular O-H?N hydrogen bond between the phenol and benzotriazole groups.

SUBMITTER: Li CH

PROVIDER: S-EPMC3009180 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-(2H-Benzotriazol-2-yl)-4-methyl-6-(phenyl-imino-meth-yl)phenol.

Li Chi-Huan CH Su Jing-Kai JK Li Chen-Yu CY Ko Bao-Tsan BT

Acta crystallographica. Section E, Structure reports online 20101020 Pt 11

In the title compound, C(20)H(16)N(4)O, the non-H atoms of the benzotriazole ring system and those of the methyl-phenol group are essentially coplanar, with an r.m.s. deviation of 0.004 (2) Å. The mean plane of these atoms forms a dihedral angle of 60.9 (2)° with the phenyl ring. There is an intra-molecular O-H⋯N hydrogen bond between the phenol and benzotriazole groups. ...[more]

PMID: 21589012

Similar Datasets

2-Methyl-6-[2-(trifluoro-meth-yl)phenyl-imino-meth-yl]phenol.

Project description:The title compound, C(15)H(12)F(3)NO, is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. The dihedral angle between the aromatic rings is 38.79?(5)°. The mol-ecular structure is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring. In addition, there is an intra-molecular short C-H?F contact.

| S-EPMC2971260 | biostudies-literature

Bis[2-(2H-benzotriazol-2-yl)-4-methyl-6-(phenyl-imino-methyl-?N)phenolato-?O]palladium(II).

Project description:In the title complex, [Pd(C(20)H(15)N(4)O)(2)], the Pd(II) atom is tetra-coordinated by two N atoms and two O atoms from two bidentate imine-benzotriazole phenolate ligands, forming a square-planar environment. The asymmetric unit contains two half-mol-ecules in both of which the Pd(II) atom lies on a centre of symmetry. The average distances between the Pd(II) atom and the coordinated O and N atoms are 1.9831?(12) and 2.012?(2)?Å, respectively.

| S-EPMC3238730 | biostudies-literature

(E)-4-Methyl-2-[(R)-1-phenyl-ethyl-imino-meth-yl]phenol.

Project description:In the title Schiff base, C(16)H(17)NO, the dihedral angle between the two aromatic rings is 63.59?(2)°. A strong intra-molecular O-H?N hydrogen bond is observed between the hydroxyl group and the imine N atom.

| S-EPMC2961494 | biostudies-literature

4-Bromo-2-[(phenyl-imino)-meth-yl]phenol.

Project description:The title compound, C13H10BrNO, is essentially planar (r.m.s. deviation = 0.026?Å) and the dihedral angle between the planes of the two aryl rings is 1.5?(3)°. An intra-molecular O-H?N hydrogen bond generates an S(6) ring.

| S-EPMC4158544 | biostudies-literature

2-(2H-Benzotriazol-2-yl)-6-[(diethyl-amino)meth-yl]-4-methyl-phenol.

Project description:In the title compound, C(18)H(22)N(4)O, the dihedral angle between the planes of the benzotriazol unit and the phenyl ring of the phen-oxy group is 6.4?(2)°. There is an intra-molecular O-H?N hydrogen bond between the phenol and benzotriazol groups.

| S-EPMC2970431 | biostudies-other

4-Meth-oxy-2-[(E)-(phenyl-imino)meth-yl]phenol.

Project description:In the mol-ecule of the title compound, C(14)H(13)NO(2), the two aromatic rings are oriented at a dihedral angle of 0.78?(20)°; with the exception of two methyl H atoms the mol-ecule is essentially planar. The intra-molecular O-H?N hydrogen bond results in the formation of a non-planar, six-membered ring, which adopts a flattened-boat conformation. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules to form parallel networks. There is a C-H?? contact between the methyl group and the benzene ring. A ?-? contact between the benzene and phenyl rings [centroid-centroid distance = 4.681?(5)?Å] is also observed.

| S-EPMC2960573 | biostudies-literature

6-Meth-oxy-2-[(E)-phenyl-imino-meth-yl]phenol.

Project description:The title compound, C(14)H(13)NO(2), was obtained by the condensation reaction of o-vanillin and aniline in ethanol. The mol-ecule adopts the phenol-imine tautomeric form and an E conformation with respect to the azomethine C=N bond. The dihedral angle between the aromatic rings is 30.57?(10)°. In the crystal, mol-ecules are linked by inter-molecular C-H?O hydrogen bonds into zigzag chains parallel to the b axis.

| S-EPMC3099786 | biostudies-literature

2-(2H-Benzotriazol-2-yl)-4-methyl-phenyl diphenyl-phosphinate.

Project description:In the title mol-ecule, C(25)H(20)N(3)O(2)P, the dihedral angle between the mean planes of the benzotriazol ring system and the N-bonded benzene ring is 45.8?(2)°. All but one of the angles at the P atom show slight distortions from an ideal tetra-hedral geometry.

| S-EPMC2977509 | biostudies-literature

4-[(Ethoxy-imino)(phen-yl)meth-yl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the mol-ecule of the title compound, C(19)H(19)N(3)O(2), the central pyrazole ring makes dihedral angles of 9.89?(3) and 66.06?(5)° with the two phenyl rings, and the two phenyl rings form an angle of 74.05?(5)°. An intra-molecular C-H?O hydrogen bond forms a six-membered ring, producing an S(6) ring motif. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link each mol-ecule to two others, forming an infinite one-dimensional supra-molecular structure along the c axis.

| S-EPMC2960692 | biostudies-literature

4-[(E)-(4-Methyl-phen-yl)imino-meth-yl]phenol.

Project description:In the title compound, C(14)H(13)NO, the two rings show significant deviation from coplanarity, with a dihedral angle between the two planes of 49.40 (5)°. The hy-droxy group is involved in an inter-molecular O-H⋯N hydrogen bond, forming an extended one-dimensional zigzag chain along (001).

| S-EPMC3297943 | 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