Browse
Submit Data
Databases
API
Help

Dataset Information

54 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,4-Di-tert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol.

ABSTRACT: In the title Schiff base, C(21)H(25)F(2)NO, the dihedral angle between the aromatic rings is 27.90(5)° and an intramolecular O-H⋯N hydrogen bond occurs. In the crystal, the molecules are linked by C-H⋯O, C-H⋯N and C-H⋯F interactions.

SUBMITTER: Celik O

PROVIDER: S-EPMC2970961 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,4-Di-tert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol.

Celik Omer O Kasumov Veli T VT Sahin Ertan E

Acta crystallographica. Section E, Structure reports online 20091017 Pt 11

In the title Schiff base, C(21)H(25)F(2)NO, the dihedral angle between the aromatic rings is 27.90(5)° and an intramolecular O-H⋯N hydrogen bond occurs. In the crystal, the molecules are linked by C-H⋯O, C-H⋯N and C-H⋯F interactions. ...[more]

PMID: 21578379

Similar Datasets

Crystal structure of 2,4-di-<i>tert</i>-butyl-6-(hy-droxy-methyl)-phenol.

Project description:The title compound, C15H24O2, is an example of a phenol-based pendant-arm precursor. In the mol-ecule, the phenol hy-droxy group participates in an intra-molecular O-H⋯O hydrogen bond with the pendant alcohol group, forming an S(6) ring. This ring adopts a half-chair conformation. In the crystal, O-H⋯O hydrogen bonds connect mol-ecules related by the 31 screw axes, forming chains along the c axis. The C-C-O angles for the hy-droxy groups are different as a result of the type of hybridization for the C atoms that are involved in these angles. The C-C-O angle for the phenol hy-droxy group is 119.21 (13)°, while the angle within the pendant alcohol is 111.99 (13)°. The bond length involving the phenolic oxygen is 1.3820 (19) Å, which contrasts with that of the alcoholic oxygen which is 1.447 (2) Å. The former is conjugated with the aromatic ring and so leads to the observed shorter bond length.

| S-EPMC5095846 | biostudies-literature

Tris(2,4-di-tert-butyl-phen-yl) phosphate.

Project description:The title compound, C(42)H(63)O(4)P, was isolated from the leaves of Vitex negundo. Two of the tert-butyl groups are disordered over two orientations with occupancy ratios of 0.57 (1):0.43 (1) and 0.67 (1):0.33 (1). Several intra-molecular C-H⋯O inter-actions are observed in the mol-ecular structure.

| S-EPMC3008051 | biostudies-literature

2,6-Di-tert-butyl-4-(morpholinometh-yl)-phenol monohydrate.

Project description:In the title compound, C(19)H(31)NO(2)·H(2)O, the morpholine ring adopts a chair conformation, while the phenolic hydroxyl group is sterically hindered by the adjacent tert-butyl groups. The crystal structure is stabilized by a number of O-H⋯O, O-H⋯N and C-H⋯O hydrogen-bonding inter-actions, involving both the organic and the solvent mol-ecules.

| S-EPMC2960252 | biostudies-literature

2,6-Di-tert-butyl-4-(methoxy-meth-yl)phenol.

Project description:The title compound, C(16)H(26)O(2), was easily obtained in high yield when 4-bromo-methyl-2,6-di-tert-butyl-phenol was reacted with methanol. There are two independent mol-ecules in the asymmetric unit. The meth-oxy group in each of the independent mol-ecules was found to be disordered, with site-occupation factors of 0.8728?(18)/0.1272?(18) and 0.8781?(17)/0.1219?(17).

| S-EPMC2960792 | biostudies-literature

2,4-Di-tert-butyl-6-({[2-(di-methyl-amino)-eth-yl](2-hy-droxy-benz-yl)amino}-meth-yl)phenol.

Project description:The title compound, C26H40N2O2, has both its N atoms in trigonal-pyramidal geometries. The mol-ecular structure is stabilized by O-H⋯N and C-H⋯O hydrogen bonds. In the crystal, C-H⋯π inter-actions lead to the formation of a supramolecular helical chain along the b-axis direction.

| S-EPMC4051019 | biostudies-literature

4,5-Bis(2,4-di-tert-butyl-phen-oxy)phthalonitrile.

Project description:In the title compound, C(36)H(44)N(2)O(2), the dihedral angles between the phthalonitrile ring and the two di-tert-butyl-benzene rings are 68.134 (8) and 70.637 (11)°. The two nitrile groups are almost coplanar with the phthalonitrile ring except for one of the N atoms which deviates from the plane by 0.125 (4) Å. One of the tert-butyl groups is disordered over two orientations, with refined occupancies of 0.814 (6) and 0.186 (6). Intra-molecular C-H⋯O inter-actions stabilize the molecular structure. The crystal packing is stabilized by inter-molecular C-H⋯N inter-actions.

| S-EPMC3051978 | biostudies-literature

(6S)-2,4-Di-tert-butyl-6-[(4S,5R)-3-iso-propyl-4-methyl-5-phenyloxazolidin-2-yl]phenol.

Project description:The title oxazolidine compound, C(27)H(39)NO(2), was synthesized from N-isopropyl-norephedrine. The dihedral angle between the aromatic rings is 70.33 (5)°. The N atom of the heterocycle is oriented to allow intra-molecular O-H⋯N hydrogen bonding with the hydr-oxy substituent.

| S-EPMC2983885 | biostudies-literature

2,6-Di-tert-butyl-4-(dimethyl-amino-meth-yl)phenol.

Project description:The title compound, C(17)H(29)NO, is an important hindered phenol derivative. The asymmetric unit contains two mol-ecules. Molecules inter-act through O-H⋯N hydrogen bonds to form a tetramer arranged around a twofold rotation axis.

| S-EPMC2915276 | biostudies-literature

Di-tert-butyl N,N'-(octa-hydro-penta-lene-2,5-di-yl)dicarbamate.

Project description:In the molecule of the title compound, C(18)H(32)N(2)O(4), the central bicyclo-[3.3.0]octane (octa-hydro-penta-lene) has a rigid ring junction. Both rings of the bicyclo-[3.3.0]octane unit adopt an envelope conformation, and the flexible tert-butyl-carbamoyl side chains each have an extended conformation. Such a constrained bicyclo-[3.3.0]octane aliphatic template is of inter-est with respect to the design of novel self-assembling motifs. Mol-ecules related by c-glide symmetry are linked via inter-molecular N-H⋯O hydrogen bonds, forming a two-dimensional layer structure. Neighboring layers are weakly associated along the a axis due to the close approach of the tert-butyl-carbamoyl groups (2.55 Å).

| S-EPMC2961559 | biostudies-literature

Di-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxyl-ate.

Project description:In the title mol-ecule, C(16)H(25)NO(4), the non-H atoms, except for the two tert-butyl groups, are roughly planar (r.m.s. deviation of the non-H atoms = 0.086 Å). In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯O hydrogen bonds, forming R(2) (2)(10) ring motifs.

| S-EPMC3393944 | 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