Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6-[(2-Hy-droxy-eth-yl)amino]-7H-dibenzo[de,h]quinolin-7-one.

ABSTRACT: The title compound, C(18)H(14)N(2)O(2), is a new oxoisoaporphine derivative synthesized by alkyl-ation of 6-chloro-1-aza-benzanthrone. The oxoisoaporphine fragment deviates significantly from planarity with a dihedral angle of 5.1?(1)° between the heterocycle and the remote benzene ring. The amino and oxo groups are involved in an intra-molecular N-H?O hydrogen bond, while the hy-droxy groups form inter-molecular O-H?N hydrogen bonds, which link pairs of mol-ecules into inversion dimers. In the dimer, two approximately parallel oxoisoaporphine fragments exhibit ?-? inter-actions between the aromatic rings, the shortest centroid-centroid distance being 3.649?(3)?Å.

SUBMITTER: Tang H

PROVIDER: S-EPMC3393276 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

6-[(2-Hy-droxy-eth-yl)amino]-7H-dibenzo[de,h]quinolin-7-one.

Tang Huang H Wang Zhi-Yu ZY Liu Yan-Cheng YC

Acta crystallographica. Section E, Structure reports online 20120602 Pt 7

The title compound, C(18)H(14)N(2)O(2), is a new oxoisoaporphine derivative synthesized by alkyl-ation of 6-chloro-1-aza-benzanthrone. The oxoisoaporphine fragment deviates significantly from planarity with a dihedral angle of 5.1 (1)° between the heterocycle and the remote benzene ring. The amino and oxo groups are involved in an intra-molecular N-H⋯O hydrogen bond, while the hy-droxy groups form inter-molecular O-H⋯N hydrogen bonds, which link pairs of mol-ecules into inversion dimers. In the ...[more]

PMID: 22807833

Similar Datasets

4-{[Bis(2-hy-droxy-eth-yl)amino]-meth-yl}-6-meth-oxy-2H-chromen-2-one.

Project description:In the title compound, C(15)H(19)NO(5), an intra-molecular O-H?O hydrogen bond links the hy-droxy-ethyl side chains, forming a seven-membered ring. In the crystal, mol-ecules are linked into chains via O-H?O hydrogen bonds along the b axis. Further, mol-ecules are linked by weak inter-molecular C-H?O and ?-? stacking inter-actions [centroid-centroid distance = 3.707?(4)?Å].

| S-EPMC3414333 | biostudies-literature

2-Hy-droxy-N-(2-hy-droxy-eth-yl)benzamide.

Project description:In the title compound, C(9)H(11)NO(3), a derivative of salicyl-amide, the intra-cyclic C-C-C angles span the range 117.96?(13)-121.56?(14)°. An intra-molecular O-H?O hydro-gen bond occurs. In the crystal, inter-molecular O-H?O and N-H?O hydrogen bonds occur and C-H?O contacts connect the mol-ecules into a three-dimensional network. The closest inter-centroid distance between two ?-systems is 3.8809?(10)?Å.

| S-EPMC3213558 | biostudies-literature

5-[(2-Hy-droxy-eth-yl)(meth-yl)amino]-thio-phene-2-carbaldehyde.

Project description:In the title compound, C8H11NO2S, the aldehyde group is approximately coplanar with the thio-phene ring [maximum deviation = 0.023 (2) Å]. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds into supra-molecular chains propagating along the a-axis direction.

| S-EPMC4050996 | biostudies-literature

8-Hy-droxy-5-(hy-droxy-meth-yl)quinolin-1-ium chloride.

Project description:The title compound, C(10)H(10)NO(2) (+)·Cl(-), contains a quinoline ring system which is essentially planar, with the largest deviation from the mean plane being 0.017?(1)?Å. In the crystal, the ion pairs and their inversion-symmetry-related partners are linked by N-H?Cl and O-H?Cl hydrogen bonds to form tetramers which are further connected through O-H?O hydrogen bonds, building infinite one-dimensional chains parallel to the [010] direction.

| S-EPMC3393256 | biostudies-literature

Crystal structure of 3-[({2-[bis-(2-hy-droxy-benz-yl)amino]-eth-yl}(2-hy-droxy-benz-yl)amino)-meth-yl]-2-hydroxy-5-methyl-benzaldehyde.

Project description:The non-symmetric title mol-ecule, C32H34N2O5, is based on a tetra-substituted ethyl-enedi-amine backbone. The mol-ecular structure consists of three hy-droxy-benzyl groups and one 2-hy-droxy-5-methyl-benzaldehyde group bonded to the N atoms of the di-amine unit. The ethyl-enedi-amine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hy-droxy-5-methyl-benzaldehyde group, an intra-molecular S(6) O-H?O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra-molecular S(6) O-H?N hydrogen bond. The third phenol group is involved in a bifurcated intra-molecular hydrogen bond with graph-set notation S(6) for O-H?N and O-H?O intra-molecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intra-molecular hydrogen bond and also acts as donor in an inter-molecular hydrogen bond, which connects inversion-related mol-ecules into dimers with R 4 (4)(8) ring motifs.

| S-EPMC4257411 | biostudies-literature

2-(2-Hy-droxy-phen-yl)-3,4-dihydro-iso-quinolin-1(2H)-one.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(15)H(13)NO(2), in both the six-membered dihydro-pyridine rings adopt a half-chair conformation. The two benzene rings make dihedral angles of 43.66 (10) and 62.22 (10)° in the two mol-ecules. In the crystal, the two independent mol-ecules are linked alternately by inter-molecular O-H⋯O hydrogen bonds, forming a zigzag chain along the c axis. Furthermore, inter-molecular C-H⋯π inter-actions link the chains into a three-dimensional network.

| S-EPMC3201540 | biostudies-literature

(6Z)-4-Bromo-6-{[(2-hy-droxy-eth-yl)amino]-methyl-idene}cyclo-hexa-2,4-dien-1-one.

Project description:The title mol-ecule, C(9)H(10)BrNO(2), excluding methyl-ene H atoms and the C-OH group, is essentially planar, with a maximum deviation of 0.037 (2) Å for the N atom. The N-C-C-O torsion angle is -63.1 (3)°. The mol-ecular structure is stabilized by a weak intra-molecular N-H⋯O(carbonyl) hydrogen bond, forming an S(6) motif. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3343984 | 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

3-Hy-droxy-1-methyl-2-[4-(piperidin-1-yl)phen-yl]quinolin-4(1H)-one.

Project description:There are two structurally similar but crystallographically independent mol-ecules (A and B) in the asymmetric unit of the title compound, C(21)H(22)N(2)O(2), which are linked via two O-H⋯O hydrogen bonds. An intramolecular O-H⋯O hydrogen bond also occurs in each molecule. In the crystal, the A and B mol-ecules are further linked through C-H⋯O inter-actions. The benzene ring is twisted at an angle of 69.9 (1) and 83.4 (1)° relative to the 1,4-dihydro-quinoline skeleton in mol-ecules A and B, respectively. Adjacent 1,4-dihydro-quinoline units of mol-ecules A are parallel, while mol-ecules A and B are oriented at an angle of 32.8 (1)°.

| S-EPMC3051995 | biostudies-literature

[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl](isoprop-yl)ammonium 4-hy-droxy-benzoate.

Project description:The title molecular salt, C(11)H(17)ClNO(+)·C(7)H(5)O(3) (-), was obtained by the reaction of racemic clorprenaline and 4-hy-droxy-benzoic acid. In the crystal, the components are connected by O-H?O and N-H?O hydrogen bonds, resulting in a two-dimensional hydrogen-bonded network.

| S-EPMC3050334 | 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