Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[(E)-(3,4-Dimethyl-isoxazol-5-yl)imino-meth-yl]phenol.

ABSTRACT: The title compound, C(12)H(12)N(2)O(2), has been synthesized by the reaction of 5-amino-3,4-dimethyl-isoxazole and salicyladehyde. The mol-ecule adopts an E configuration about the central C=N double bond. The dihedral angle between the isoxazole and phenyl rings is 4.2 (2)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. The crystal studied was a non-merohedral twin with a domain ratio of 0.834 (4):0.166 (4).

SUBMITTER: Fun HK

PROVIDER: S-EPMC2983993 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1-[(E)-(3,4-Dimethyl-isoxazol-5-yl)imino-meth-yl]-2-naphthol.

Project description:The title Schiff base compound, C(16)H(14)N(2)O(2), has been synthesized by the reaction of 5-amino-3,4-dimethyl-isoxazole and 2-hydr-oxy-1-naphthaldehyde. The dihedral angle between the isoxazole ring and the napthyl ring system is 3.29?(7)°. The mol-ecule adopts an E configuration about the central C=N double bond. Intra-molecular O-H?N hydrogen bonding generates an S(6) ring motif. In the crystal structure, ?-? inter-actions are observed involving the isoxazole ring and the substituted benzene ring of the naphthyl unit, with centroid-centroid distances of 3.5200?(10)?Å.

| S-EPMC2979054 | biostudies-literature

4-Bromo-2-{(E)-[(3,4-dimethyl-phen-yl)imino]-meth-yl}phenol.

Project description:In the title compound, C(15)H(14)BrNO, the dihedral angle between the aromatic rings is 4.10?(11)° and the mol-ecule is close to planar (r.m.s. deviation for the non-H atoms = 0.053?Å). An intra-molecular O-H?N hydrogen bond closes an S(6) ring. In the crystal, very weak C-H?? inter-actions are observed.

| S-EPMC3435742 | biostudies-literature

(E)-2-Meth-oxy-6-[(5-methyl-isoxazol-3-yl)imino-meth-yl]phenol.

Project description:In the title mol-ecule, C(12)H(12)N(2)O(3), the benzene and isoxazole rings form a dihedral angle of 5.9?(6)°. The hydr-oxy group is involved in an intra-molecular O-H?N hydrogen bond [O?N = 2.616?(5)?Å], resulting in approximate planarity of the mol-ecular skeleton. In the crystal structure, mol-ecules related by translation along the c axis are stacked into columns, the shortest inter-molecular C?C distance being 3.298?(6)?Å.

| S-EPMC2960214 | biostudies-literature

2-[(E)-(2,3-Dimethyl-phen-yl)imino-meth-yl]phenol.

Project description:In the title compound, C(15)H(15)NO, the almost planar 2,3-dimethyl-aniline unit and the salicyl-aldehyde group (r.m.s. deviations of 0.0156 and 0.0109?Å, respectively) are oriented at a dihedral angle of 43.69?(9)° with respect to each other. An S(6) ring motif is formed due to intra-molecular O-H?N hydrogen bonding. In the crystal, C-H?? inter-actions occur between the 2,3-dimethyl-aniline unit and the salicyl-aldehyde group, where the CH is from the o-methyl group.

| S-EPMC3008100 | biostudies-literature

2-[(E)-(2,4-Dimethyl-phen-yl)imino-meth-yl]phenol.

Project description:The asymmetric unit of the title compound, C(15)H(15)NO, contains two independent mol-ecules, both of which exist in trans configurations with respect to the C=N bonds [1.278?(2) and 1.279?(2)?Å]. In each mol-ecule, intra-molecular O-H?N hydrogen bonds generate S(6) ring motifs. In one mol-ecule, the benzene rings form a dihedral angle of 13.38?(9)°, while in the other mol-ecule the dihedral angle is 30.60?(10)°. In the crystal, the two independent mol-ecules are linked via weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3212320 | biostudies-literature

2-[(2,4-Dimethyl-phen-yl)imino-meth-yl]-3,5-dimethoxy-phenol.

Project description:X-ray analysis reveals that the title Schiff base compound, C(17)H(19)NO(3), possesses both OH and NH tautomeric character in its mol-ecular structure. The occupancies of the enol and keto tautomers are 0.62?(3) and 0.38?(3), respectively. The presence of the minor keto form could not be confirmed from the IR spectrum. The mol-ecule is approximately planar, the dihedral angle between the planes of the two aromatic rings being 6.97?(8)°. The mol-ecular structure of the major component is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring motif (N-H?O hydrogen bond in the minor component).

| S-EPMC2969358 | biostudies-literature

2-[(2,4-Dimethyl-phen-yl)imino-meth-yl]-6-methyl-phenol.

Project description:The title compound, C(16)H(17)NO, is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. The mol-ecule is almost planar, with a dihedral angle of 4.61 (4)° between the aromatic rings. The molecular structure is stabilized by an intramolecular O-H⋯N hydrogen bond which generates a six membered ring.

| S-EPMC2969980 | biostudies-literature

(E)-4-[(3,5-Dimethyl-phen-yl)imino-meth-yl]-2-meth-oxy-3-nitro-phenol.

Project description:The mol-ecule of the title compound, C(16)H(16)N(2)O(4), exists in the E configuration with respect to the central C=N double bond. The dihedral angle between the two benzene rings is 2.17?(9)?Å. In the crystal, mol-ecules are linked via O-H?N hydrogen bonds into chains that propagate along the b-axis direction. There is also ?-? stacking of inversion-related mol-ecules, with inter-planar spacings of 3.479?(5)?Å and ring centroid-centroid distances of 3.876?(4)?Å.

| S-EPMC3254553 | biostudies-literature

2-[(E)-(2-Amino-phen-yl)imino-meth-yl]-5-(dimethyl-amino)phenol.

Project description:The mol-ecule of the title compound, C(17)H(21)N(3)O, displays a trans configuration with respect to the C=N double bond. The dihedral angle between the planes of the two benzene rings is 50.96?(11)° and a strong intra-molecular O-H?N hydrogen bond is present. An inter-molecular N-H?O hydrogen-bonding inter-action stabilizes the crystal structure.

| S-EPMC2969689 | biostudies-literature

4-Bromo-2-((E)-{4-[(3,4-dimethyl-isoxazol-5-yl)sulfamo-yl]phen-yl}iminio-meth-yl)phenolate.

Project description:The title compound, C(18)H(16)BrN(3)O(4)S, is a Schiff base ligand of 5-bromo-salicylaldehyde and sulfisoxazole [or N-(3,4-dimethyl-5-isoxazol)sulfanilamide]. The present structure is a zwitterion and is a more precise reinterpretation of the structure which was originally reported by Hämäläinen, Lehtinen & Turpeinen [Arch. Pharm. (1986), 319, 415-420]. The two aromatic rings which make π-π inter-actions [centroid-centroid distance 3.7538 (18) Å] through intermolecular interactions. There is also a C-Br⋯π inter-action [3.6333 (15) Å] with the heterocyclic ring. An intra-molecular N-H⋯O hydrogen bond also exists. Dimers are formed due to inter-molecular N-H⋯O hydrogen bonding. Inter-molecular C-H⋯O hydrogen bonding links a methyl C atom and the phenolate O atom. The dimers are linked by C-H⋯N hydrogen bonds, where the C atom is from the Schiff base group and the N atom is of five-membered heterocyclic ring.

| S-EPMC2960962 | 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