Browse
Submit Data
Databases
API
Help

Dataset Information

34 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[(E)-({3-[(E)-(2-Hy-droxy-benzyl-idene)amino-meth-yl]-1,4-dioxaspiro-[4.5]decan-2-yl}meth-yl)imino-meth-yl]phenol.

ABSTRACT: In the title compound, C(24)H(28)N(2)O(4), the dioxalane ring has an envelope conformation. The cyclo-hexane ring adopts a chair conformation. The dihedral angle between the benzene rings is 72.5?(3)°. The mol-ecular conformation is stabilized by two intra-molecular O-H?N hydrogen-bonding inter-actions with an S(6) graph-set motif. The crystal structure is stabilized by van der Waals inter-actions.

SUBMITTER: Jiang Y

PROVIDER: S-EPMC3394072 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-[(E)-({3-[(E)-(2-Hy-droxy-benzyl-idene)amino-meth-yl]-1,4-dioxaspiro-[4.5]decan-2-yl}meth-yl)imino-meth-yl]phenol.

Jiang Yan Y Wang Lili L Bian Jing J Du Xiaoying X Sun Xiaoqiang X

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the title compound, C(24)H(28)N(2)O(4), the dioxalane ring has an envelope conformation. The cyclo-hexane ring adopts a chair conformation. The dihedral angle between the benzene rings is 72.5 (3)°. The mol-ecular conformation is stabilized by two intra-molecular O-H⋯N hydrogen-bonding inter-actions with an S(6) graph-set motif. The crystal structure is stabilized by van der Waals inter-actions. ...[more]

PMID: 22798937

Similar Datasets

4-Bromo-2-({4-[(hy-droxy-imino)-meth-yl]phen-yl}imino-meth-yl)phenol.

Project description:In the title compound, C(14)H(11)BrN(2)O(2), the mean planes of the two benzene rings are almost parallel to each other, making a dihedral angle of 4.09?(1)°. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules into a chain-like supra-molecular structure.

| S-EPMC3007216 | biostudies-literature

2-((E)-{[4-(Hy-droxy-meth-yl)phen-yl]imino}-meth-yl)phenol.

Project description:The title compound, C(14)H(13)NO(2), adopts the enol-imine tautomeric form, with an intra-molecular O-H?N hydrogen bond which generates an S(6) ring motif. The dihedral angle between the aromatic rings is 7.85?(7)°. The crystal structure is stabilized by O-H?O, O-H?N and C-H?O hydrogen bonds, forming a two-dimensional array that stacks along the a axis. In addition, a C-H?? inter-action contributes to the stabilization of the crystal packing.

| S-EPMC3379224 | biostudies-literature

(2S)-2-(3-Oxo-1,4-dioxaspiro-[4.5]decan-2-yl)ethanoic acid.

Project description:The title compound, C(10)H(14)O(5), is an inter-mediate in our study of the asymmetric synthesis of α-hydroxy-alkanoic acids. The structure consists of 1,4-dioxaspiro[4,5]decane skeleton formed when the cyclohexylidene group binds to both of the hydroxyl groups of carboxylic groups of the starting malic acid. The six-membered ring adopts a chair conformation.

| S-EPMC2961159 | biostudies-literature

(E)-4-Fluoro-2-[(4-hy-droxy-pheneth-yl)imino-meth-yl]phenol.

Project description:The title compound, C(15)H(14)FNO(2), has an E conformation about the C=N bond, which facilitates the formation of an intra-molecular O-H?N hydrogen bond. The F atom is disordered over two adjacent sites in a 0.65?(7):0.35?(7) ratio. The dihedral angle between the benzene ring planes is 14.2?(2)°. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming C(14) [010] chains.

| S-EPMC3275018 | biostudies-literature

(E)-2-{[2-(2-Hy-droxy-ethyl-amino)-ethyl-imino]-meth-yl}phenol.

Project description:The asymmetric unit of the title compound, C(11)H(16)N(2)O(2), contains two independent conformational isomers which show intra-molecular aromatic-imine O-H⋯N hydrogen bonds. In the crystal, neighboring mol-ecules are linked through inter-molecular aliphatic-aliphatic O-H⋯N, aliphatic-aromatic N-H⋯O and C-H⋯O inter-actions into hydrogen-bonded layers parallel to the ab plane.

| S-EPMC3247587 | biostudies-literature

4-[(E)-({4-[Bis-(2-hy-droxy-eth-yl)amino]-phen-yl}imino)-meth-yl]phenol.

Project description:In the title compound, C(17)H(20)N(2)O(3), the amino N atom is in a planar environment (sum of angles = 360.0°). All hy-droxy H atoms are involved in hydrogen bonding. In the crystal structure, two O-H?O and an O-H?N(imino) hydrogen bond result in the formation of a three-dimensional network. The latter hydrogen bonding causes distortion of the planarity of the 4-HO-C(6)H(4)-CH=N-C(6)H(4)- fragment by rotation around the =N-C(Ph) bond. The crystal studied was a non-merohedral twin [refined BASF parameter for the major component = 0.5293?(7)].

| S-EPMC3006715 | biostudies-literature

2-[({2-[(2-Hy-droxy-5-meth-oxy-benzyl-idene)amino]-eth-yl}imino)-meth-yl]-4-meth-oxy-phenol.

Project description:The asymmetric unit of the title compound, C(18)H(20)N(2)O(4), contains one-half mol-ecule with an inversion center located at the centroid of the mol-ecule. In the crystal, mol-ecules are linked by C-H?? inter-actions, forming layers parallel to (101). An intra-molecular O-H?N hydrogen bond also occurs.

| S-EPMC3379345 | biostudies-literature

4-{[4-(Hy-droxy-meth-yl)piperidin-1-yl]meth-yl}phenol.

Project description:In the title compound, C(13)H(19)NO(2), the piperidine ring has a chair conformation with the exocyclic N-C bond in an equatorial position. In the crystal, mol-ecules are linked head-to-tail by phenol O-H⋯O hydrogen bonds to hy-droxy-methyl-ene O-atom acceptors, forming chains which extend along [100]. These chains form two-dimensional networks lying parallel to (101) through cyclic hydrogen-bonding associations [graph set R(4) (4)(30)], involving hy-droxy O-H donors and piperidine N-atom acceptors.

| S-EPMC3394056 | biostudies-literature

[(2R,5R,6S,9R)-6-Isopropyl-9-methyl-1,4-dioxaspiro-[4.5]decan-2-yl]methyl 4-bromo-benzoate.

Project description:The title compound, C(20)H(27)BrO(4), a 4-bromo-benzoyl derivative of a stereoisomer of glycerol menthonide, synthesized as part of a study of 3-carbon stereochemical moieties, crystallizes with two crystallographically independent mol-ecules in the asymmetric unit, the two mol-ecules differing only in one of the C-O-C-C torsion angles around the ester O atom [-106.5 (7) and 146.1 (6)°]. The two mol-ecules are crystallographically related by a pseudotranslation along the (011) diagonal of the unit cell, emulating a primitive monoclinic cell of half the volume. The translational symmetry is broken by the 4-bromo-benzoate groups. The crystallographic assignment of the absolute stereochemistry is consistent with having started with (-)-menthone, the acetal C atom is R and the secondary alcohol is R. This brings the bromo-benzoate into approximately the same plane as the menthyl ring and cis to the isopropyl group. The glycerol menthonide sections of the molecules interact with each other via C-H⋯O interactions, leading to the formation of chains either A or B molecules that stretch parallel to [010], forming column-shaped double chains. Interactions between neighboring columns are limited to van der Waals contacts.

| S-EPMC3051951 | biostudies-literature

2-[(Diphenyl-phosphor-yl)(hy-droxy)meth-yl]-5-meth-oxy-phenol.

Project description:In the title compound, C(20)H(19)O(4)P, the dihedral angle between the phenyl rings is 73.3?(4)° and the dihedral angles between the benzene ring and the two phenyl rings are 43.0?(3) and 54.3?(1)°. In the crystal, O-H?O hydrogen bonds and weak O-H?O inter-actions are observed, which form a supra-molecular sheet parallel to (010).

| S-EPMC3379301 | 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