Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Arumugam N

PROVIDER: S-EPMC3007246 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Arumugam Natarajan N Abdul Rahim Aisyah Saad AS Abd Hamid Shafida S Rosli Mohd Mustaqim MM Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100731 Pt 8

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. ...[more]

PMID: 21588428

Similar Datasets

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

Project description: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.

| S-EPMC3051633 | 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

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

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

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

2-Amino-5-bromo-pyridinium 2-hy-droxy-benzoate.

Project description:In the title compound, C(5)H(6)BrN(2) (+)·C(7)H(5)O(3) (-), the 2-amino-5-bromo-pyridinium cation and 2-hy-droxy-benzoate anion are essentially planar with maximum deviations of 0.020?(1) and 0.018?(2)?Å, respectively. The anion is stabilized by an intra-molecular O-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, the cations and anions are linked by N-H?O hydrogen bonds into chains propagating along [010]. The chains contain R(2) (2)(8) ring motifs. The structure is further stabilized by ?-? stacking inter-actions [centroid-centroid distances = 3.4908?(10) and 3.5927?(10)?Å] and also features short Br?O contacts [2.9671?(13)?Å].

| S-EPMC3007284 | biostudies-literature

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

Project description:The asymmetric unit of the title mol-ecular salt, C(6)H(9)N(2) (+)·C(7)H(5)O(3) (-), contains two cations and two anions. Both the salicylate anions contain an intra-molecular O-H?O hydrogen bond, which generates an S(6) ring. Both the 2-amino-4-methyl-pyridine mol-ecules are protonated at their pyridine N atoms. In the crystal, both cations form two N-H?O hydrogen bonds to their adjacent anions, forming ion pairs. Further N-H?O links generate sheets lying parallel to the ab plane. In addition, weak C-H?O bonds and aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.5691?(9) and 3.6215?(9)?Å] are observed between the cations and anions.

| S-EPMC3007449 | biostudies-literature

2-Amino-5-methyl-pyridinium 2-hy-droxy-benzoate.

Project description:In the title compound, C(6)H(9)N(2) (+)·C(7)H(5)O(3) (-), the protonated 2-amino-5-methyl-pyridinium cation and the 2-hy-droxy-benzoate anion are both essentially planar, with maximum deviations of 0.026 (2) and 0.034 (1) Å, respectively. The anion is stabilized by an intra-molecular O-H⋯O hydrogen bond, which forms an S(6) ring motif. In the solid state, the anions are linked to the cations via pairs of inter-molecular N-H⋯O hydrogen bonds forming R(2) (2)(8) ring motifs. The crystal structure is further stabilized by N-H⋯O and C-H⋯O inter-actions which link the mol-ecules into chains along [010]. A π-π stacking inter-action [centroid-centroid-distance = 3.740 (2) Å] is also observed.

| S-EPMC3008107 | biostudies-literature

2-Amino-4-methyl-pyridinium 3-hy-droxy-benzoate.

Project description:In the title salt, C6H9N2 (+)·C7H5O3 (-), the anion is essentially planar, with a dihedral angle of 2.72 (17)° between the benzene ring and the carboxyl-ate group. In the crystal, the anions are connected by O-H⋯O hydrogen bonds, forming a 41 helical chain along the c axis. The protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds with an R 2 (2)(8) ring motif. The ion pairs are further connected via another N-H⋯O hydrogen bond, resulting in a three-dimensional network.

| S-EPMC3770390 | 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