Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2'-[(3,5-Di-tert-butyl-2-hy-droxy-benzyl-idene)amino]-1,1'-binaphthalen-2-ol methanol monosolvate.

ABSTRACT: The title compound, C(35)H(35)NO(2)·CH(4)O, was obtained by the reaction of rac-2-amino-2-hy-droxy-1,1-binaphthyl and 3,5-di-tert-butyl-2-hy-droxy-benzaldehyde in absolute methanol. In the Schiff base mol-ecule, the two naphthyl bicycles are twisted by 71.15?(5)°. One hy-droxy group is involved in intra-molecular O-H?N hydrogen bond, while the methanol solvent mol-ecule is linked to another hy-droxy group via an inter-molecular O-H?O hydrogen bond.

SUBMITTER: He D

PROVIDER: S-EPMC3247328 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2'-[(3,5-Di-tert-butyl-2-hy-droxy-benzyl-idene)amino]-1,1'-binaphthalen-2-ol methanol monosolvate.

He Dian D Li Chong C Wang Xiaohong X

Acta crystallographica. Section E, Structure reports online 20111012 Pt 11

The title compound, C(35)H(35)NO(2)·CH(4)O, was obtained by the reaction of rac-2-amino-2-hy-droxy-1,1-binaphthyl and 3,5-di-tert-butyl-2-hy-droxy-benzaldehyde in absolute methanol. In the Schiff base mol-ecule, the two naphthyl bicycles are twisted by 71.15 (5)°. One hy-droxy group is involved in intra-molecular O-H⋯N hydrogen bond, while the methanol solvent mol-ecule is linked to another hy-droxy group via an inter-molecular O-H⋯O hydrogen bond. ...[more]

PMID: 22219946

Similar Datasets

N'-(3,5-Dibromo-2-hy-droxy-benzyl-idene)-4-nitro-benzohydrazide methanol monosolvate.

Project description:The title compound, C(14)H(9)Br(2)N(3)O(4)·CH(4)O, was obtained as the product of the reaction of 3,5-dibromo-salicyl-aldehyde with 4-nitro-benzohydrazide in methanol. The benzohydrazide mol-ecule is nearly planar, with a maximum deviation of 0.126?(2)?Å. The mean planes of the two benzene rings make a dihedral angle of 9.3?(3)°. Intra-molecular O-H?N and O-H?Br inter-actions are observed in the benzohydrazide mol-ecule. In the crystal, pairs of adjacent benzohydrazide mol-ecules are linked by two methanol mol-ecules through inter-molecular O-H?O and N-H?O hydrogen bonds, forming a dimer.

| S-EPMC3200651 | biostudies-literature

3-Chloro-N'-(3,5-dibromo-2-hy-droxy-benzyl-idene)benzohydrazide methanol monosolvate.

Project description:The title Schiff base compound, C(14)H(9)Br(2)ClN(2)O(2)·CH(3)OH, features an intra-molecular O-H?N hydrogen bond, which contributes to the planarity of the mol-ecule: the dihedral angle between the two benzene rings is 4.6?(2)°. In the crystal, pairs of adjacent mol-ecules are linked through inter-molecular N-H?O and O-H?O hydrogen bonds, forming dimers. The methanol solvent mol-ecule is linked by inter-molecular O-H?O hydrogen bonds.

| S-EPMC3051720 | biostudies-literature

Ethyl 4-[(3,5-di-tert-butyl-2-hy-droxy-benzyl-idene)-amino]-benzoate.

Project description:The title compound, a Schiff base, C(24)H(31)NO(3), has a substituted aromatic ring at both ends of the azomethine linkage and these make a dihedral angle of 24.9?(1)°. There is an intra-molecular hydrogen bond between the hy-droxy group (donor) and the N atom of themazomethine linkage.

| S-EPMC3009105 | biostudies-literature

N'-(3,5-Dichloro-2-hy-droxy-benzyl-idene)-4-(dimethyl-amino)-benzohydrazide methanol monosolvate.

Project description:The title compound, C(16)H(15)Cl(2)N(3)O(2)·CH(3)OH, a Schiff base molecule, is prepared by the reaction of 3,5-dichloro-salicyl-aldehyde with 4-dimethyl-amino-benzohydrazide in methanol. The Schiff base mol-ecule is approximately planar, with a mean deviation from the least-squares plane defined by the non-H atoms of 0.0452?(3)?Å, and with a dihedral angle between the benzene rings of 4.2?(3)°. This planarity is assisted by the formation of an intra-molecular O-H?N hydrogen bond. In the crystal, adjacent Schiff base mol-ecules are linked by two methanol mol-ecules through N-H?O and O-H?O hydrogen bonds, forming dimers.

| S-EPMC3344003 | biostudies-literature

Phenyl 3,5-di-tert-butyl-2-hy-droxy-benzoate.

Project description:The title mol-ecule, C(21)H(26)O(3), has a six-membered planar carbon ring as the central core, substituted at position 1 with phen-oxy-carbonyl, at position 2 with hy-droxy and at positions 3 and 5 with tert-butyl groups. The structure shows two independent but very similar mol-ecules within the asymmetric unit. For both independent mol-ecules, the ester carboxyl-ate group is coplanar with the central core, as reflected by the small C-C-O-C torsion angles [179.95?(17) and 173.70?(17)°]. In contrast, the phenyl substituent is almost perpendicular to the carboxyl-ate -CO(2) fragment, as reflected by C-O-C-C torsion angles, ranging from 74 to 80°. The coplanarity between the central aromatic ring and the ester carboxyl-ate -CO(2)- group allows the formation of an intra-molecular hydrogen bond, with O?O distances of 2.563?(2) and 2.604?(2)?Å.

| S-EPMC3011503 | biostudies-literature

7-[(3,5-Di-tert-butyl-2-hy-droxy-benzyl-idene)amino]-4-methyl-2H-chromen-2-one.

Project description:The title compound, C(25)H(29)NO(3), is a Schiff base derivative of coumarin 120. There are two structurally similar but crystallographically independent mol-ecules in the asymmetric unit. Both mol-ecules exist in E configurations with respect to the C=N double bonds. The dihedral angles between the coumarin and 3,5-di-tert-butyl-2-hy-droxy-benzyl-idene ring planes are 4.62?(7) and 14.62?(7)° for the two mol-ecules. Intra-molecular O-H?N hydrogen bonding involving the O-H groups and the azomethine N atoms generate S(6) rings. In the crystal structure, independent mol-ecules are linked by C-H?? inter-actions, with groups of four mol-ecules stacked along the c axis.

| S-EPMC2983148 | biostudies-literature

Crystal structure of trans-N,N'-bis-(3,5-di-tert-butyl-2-hy-droxy-phen-yl)oxamide methanol monosolvate.

Project description:The here crystallized oxamide was previously characterized as an unsolvated species [Jímenez-Pérez et al. (2000 ?). J. Organomet. Chem. 614-615, 283-293], and is now reported with methanol as a solvent of crystallization, C30H44N2O4·CH3OH, in a different space group. The introduction of the solvent influences neither the mol-ecular symmetry of the oxamide, which remains centrosymmetric, nor the mol-ecular conformation. However, the unsolvated mol-ecule crystallized as an ordered system, while many parts of the solvated crystal are disordered. The hy-droxy group in the oxamide is disordered over two chemically equivalent positions, with occupancies 0.696?(4):0.304?(4); one tert-butyl group is disordered by rotation about the C-C bond, and was modelled with three sites for each methyl group, each one with occupancy 1/3. Finally, the methanol solvent, which lies on a twofold axis, is disordered by symmetry. The disorder affecting hy-droxy groups and the solvent of crystallization allows the formation of numerous supra-molecular motifs using four hydrogen bonds, with N-H and O-H groups as donors and the oxamide and methanol mol-ecule as acceptors.

| S-EPMC4992906 | biostudies-other

N'-[(1E)-3-Bromo-5-chloro-2-hy-droxy-benzyl-idene]-4-tert-butyl-benzo-hydrazide ethanol monosolvate.

Project description:In the title compound, C(18)H(18)BrClN(2)O(2)·C(2)H(6)O, the hy-droxy group forms an intra-molecular O-H?N hydrogen bond, which influences the conformation of the Shiff base mol-ecule, where the two aromatic rings form a dihedral angle of 21.67?(8)°. Inter-molecular N-H?O and O-H?O hydrogen bonds link two Shiff base mol-ecules and two solvent mol-ecules into a centrosymmetric heterotetra-mer. Weak inter-molecular C-H?O inter-actions link further tetra-mers related by translation along the a axis into chains.

| S-EPMC3247593 | biostudies-literature

N'-(3,4-Dimeth-oxy-benzyl-idene)-3,5-dihy-droxy-benzohydrazide methanol monosolvate.

Project description:In the title compound, C(16)H(16)N(2)O(5)·CH(4)O, the two benzene rings in the Schiff base mol-ecule form a dihedral angle of 17.1?(1)°. In the crystal, inter-molecular O-H?O hydrogen bonds link the components into corrugated sheets parallel to the (101) plane.

| S-EPMC3213620 | biostudies-literature

(E)-N'-(2-Hy-droxy-3,5-diiodo-benzyl-idene)nicotinohydrazide acetonitrile monosolvate.

Project description:In the hydrazone molecule of the title compound, C(13)H(9)I(2)N(3)O(2)·CH(3)CN, the aromatic rings form a dihedral angle of 9.4 (3)°. In the crystal structure, inter-molecular I⋯N inter-actions [3.099 (4) Å] link hydrogen-bonded aggregates of the hydrozone and solvent molecules related by translation along the b axis into chains. An intramolecular O-H⋯N hydrogen bond forms an S(6) ring.

| S-EPMC3151945 | 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