Browse
Submit Data
Databases
API
Help

Dataset Information

35 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Hy-droxy-ethyl 4-hy-droxy-benzoate.

ABSTRACT: In the title compound, C(9)H(10)O(4), the dihedral angle between the benzene ring and the -CO(2) unit is 11.93?(8)° and the conformation of the 2-hy-droxy-ethyl side chain is gauche [O-C-C-O = -71.91?(17)°]. In the crystal, mol-ecules are linked by O-H?O and C-H?O hydrogen bonds.

SUBMITTER: Jeyalaxmi M

PROVIDER: S-EPMC3051633 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Hy-droxy-ethyl 4-hy-droxy-benzoate.

Jeyalaxmi M M Jagadeesan G G Arulmoli J J Singh D Roop DR Aravindhan S S

Acta crystallographica. Section E, Structure reports online 20110122 Pt 2

In the title compound, C(9)H(10)O(4), the dihedral angle between the benzene ring and the -CO(2) unit is 11.93 (8)° and the conformation of the 2-hy-droxy-ethyl side chain is gauche [O-C-C-O = -71.91 (17)°]. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds. ...[more]

PMID: 21523106

Similar Datasets

Ethyl 3-amino-4-[(2-hy-droxy-ethyl)-amino]benzoate.

Project description:In the crystal structure of the title compound, C(11)H(16)N(2)O(3), mol-ecules are linked by one O-H?N and two N-H?O inter-molecular hydrogen bonds into a three-dimensional network, which incorporates R(2) (2)(14) and R(2) (2)(16) graph-set motifs.

| S-EPMC3007246 | biostudies-literature

Tetra-ethyl-ammonium 4-hy-droxy-benzoate monohydrate.

Project description:In the title compound, C(8)H(20)N(+)·C(7)H(5)O(3) (-)·H(2)O, the carboxyl-ate group is slightly out of the plane of the parent benzene ring, the C-C-C-O torsion angles being 2.3?(2) and 2.0?(2)°. The carboxyl-ate group and the hy-droxy group form O-H?O hydrogen bonds, generating a head-to-tail chain along the b axis. Neighbouring hydrogen-bonded chains are linked by the water mol-ecule, generating two independent O-H?O donor hydrogen bonds. The carboxyl-ate group thus constructs a hydrogen-bonded host layer parallel to (10[Formula: see text]). The tetra-ethyl-ammonium cation is contained between these layers, forming a sandwich-like structure with an approximate inter-layer distance of 10.03?Å.

| S-EPMC3152065 | 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

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

Project description:The title amine, C(24)H(33)NO(3), has two substituted aromatic rings at either end of the -CH(2)NH- linkage [C(ar-yl)-CH(2)-NH-C(ar-yl) torsion angle = 77.4 (3)°]. The amino and hy-droxy groups are hydrogen-bond donors to the carbonyl O atom of an adjacent mol-ecule. These hydrogen bonds give rise to a chain that runs along the b axis. One of the tert-butyl groups is disordered over two positions with a site-occupation factor of 0.834 (6) for the major occupied site.

| S-EPMC3009098 | biostudies-literature

Crystal structure of ethyl 4-[(E)-(4-hy-droxy-3-meth-oxy-benzyl-idene)amino]-benzoate: a p-hy-droxy Schiff base.

Project description:The title p-hy-droxy Schiff base, C17H17NO4, was synthesized via the condensation reaction of benzocaine with vanillin. The benzyl-idine and benzoate rings are inclined to one another by 24.58 (8)°, and the conformation about the C=N bond is E. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, forming zigzag chains propagating along [010]. Adjacent chains are linked by C-H⋯π and weak offset π-π inter-actions [inter-centroid distance = 3.819 (1) Å], forming sheets parallel to (10-2).

| S-EPMC4992913 | biostudies-literature

Diethyl-ammonium 4-hy-droxy-benzoate.

Project description:In the crystal structure of the title compound, C(4)H(12)N(+)·C(7)H(5)O(3) (-), the cations and anions are linked by N-H⋯O and O-H⋯O hydrogen bonds, leading to the formation of a three-dimensional network.

| S-EPMC3008998 | biostudies-literature

3,3-Dinitro-azetidinium 2-hy-droxy-benzoate.

Project description:In the title gem-dinitro-azetidinium 2-hy-droxy-benzoate salt, C(3)H(6)N(3)O(4) (+)·C(7)H(5)O(3) (-), the azetidine ring is virtually planar, with a mean deviation from the plane of 0.0242?Å. The dihedral angle between the two nitro groups is 87.5?(1)°.

| S-EPMC3009224 | biostudies-literature

2-Phenyl-ethanaminium 4-hy-droxy-benzoate.

Project description:In the title salt, C8H12N(+)·C7H5O3 (-), the cation is disordered over two orientations with site occupancies of 0.565?(7) and 0.435?(7). In the anion, the carboxyl-ate group makes the dihedral angle of 4.19?(18)° with the benzene ring. In the crystal, the ions are connected by N-H?O and O-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3648314 | biostudies-literature

2,3-Diamino-pyridinium 2-hy-droxy-benzoate.

Project description:In the title mol-ecular salt, C(5)H(8)N(3) (+)·C(7)H(5)O(3) (-), the 2,3-diamino-pyridinium cation is essentially planar, with a maximum deviation of 0.006?(2)?Å. In the crystal, adjacent cations and anions are linked by pairs of N-H?O hydrogen bonds, generating R(2) (2)(8) loops. These dimers are linked by further N-H?O hydrogen bonds and C-H?O inter-actions to form sheets lying parallel to (001). A typical intra-molecular O-H?O hydrogen bond is also observed in the salicylate (2-hy-droxy-benzoate) anion, which generates an S(6) ring. The crystal structure also features ?-? stacking inter-actions between the pyridinium rings of the cations, with a centroid-centroid distance of 3.5896?(15)?Å.

| S-EPMC3247505 | biostudies-literature

4-Amino-pyridinium 2-hy-droxy-benzoate.

Project description:In the salicylate anion of the title salt, C(5)H(7)N(2) (+)·C(7)H(5)O(3) (-), an intra-molecular O-H?O hydrogen bond generating an S(6) ring motif is observed. In the crystal structure, the cations and anions are linked into a two-dimensional network parallel to the ab plane by N-H?O and C-H?O hydrogen bonds. The network contains R(2) (2)(7) and R(1) (2)(4) ring motifs. Weak ?-? inter-actions between the benzene and pyridinium rings [centroid-centroid distance = 3.688?(1)?Å] are also observed.

| S-EPMC3007529 | 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