Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-{2-[4-(2-Hy-droxy-eth-yl)piperazin-1-yl]eth-yl}phthalimide.

ABSTRACT: In the title compound, C(16)H(21)N(3)O(3), the piperazine ring adopts a chair conformation, with its N-C bonds in pseudo-equatorial orientations. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, generating C(5) chains propagating in [101]. Weak aromatic ?-? stacking inter-actions also occur [centroid-centroid separation = 3.899?(1)?Å].

SUBMITTER: Shao Y

PROVIDER: S-EPMC3254512 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-{2-[4-(2-Hy-droxy-eth-yl)piperazin-1-yl]eth-yl}phthalimide.

Shao Ying Y An Dong D Zhou Mi M Liu Li L Sun Xiao-Qiang XQ

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

In the title compound, C(16)H(21)N(3)O(3), the piperazine ring adopts a chair conformation, with its N-C bonds in pseudo-equatorial orientations. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, generating C(5) chains propagating in [101]. Weak aromatic π-π stacking inter-actions also occur [centroid-centroid separation = 3.899 (1) Å]. ...[more]

PMID: 22259457

Similar Datasets

N-[2-(2-Hy-droxy-eth-oxy)pheneth-yl]phthalimide.

Project description:The title compound, C(18)H(17)NO(4), was obtained accidentally through acid-catalysed aromatization of a phthalimide-substituted 2-(1-hy-droxy-eth-yl)cyclo-hex-2-enone. It exhibits an intra-molecular O-H⋯O(c) (c = carbonyl) hydrogen bond and forms a three-dimensional network structure via π-π stacking inter-actions between adjacent benzene rings (phthalimide-to-phenyl-ene and phthalimide-to-phthalimide), with centroid-centroid distances of 3.8262 (6) and 3.6245 (5) Å.

| S-EPMC3379239 | 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

Poly[[{μ(3)-2-[4-(2-hy-droxy-eth-yl)piperazin-1-yl]ethane-sulfonato}-silver(I)] trihydrate].

Project description:Ethane-sulfonic acid-based buffers like 2-[4-(2-hy-droxy-eth-yl)-piperazin-1-yl]ethane-sulfonic acid (HEPES) are commonly used in biological experiments because of their ability to act as non-coordinating ligands towards metal ions. However, recent work has shown that some of these buffers may in fact coordinate metal ions. The title complex, {[Ag(C(8)H(17)N(2)O(4)S)]·3H(2)O}(n), is a metal-organic framework formed from HEPES and a silver(I) ion. In this polymeric complex, each Ag atom is primarily coordinated by two N atoms in a distorted linear geometry. Weaker secondary bonding inter-actions from the hy-droxy and sulfate O atoms of HEPES complete a distorted seesaw geometry. The crystal structure is stabilized by O-H⋯O hydrogen-bonding interactions.

| S-EPMC3200587 | 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

1-[4-(4-Hy-droxy-phen-yl)piperazin-1-yl]ethanone.

Project description:In the title compound, C12H16N2O2, the piperazine ring has a chair conformation. The dihedral angle between the mean planes of the benzene ring and the acetyl group is 48.7?(1)°. In the crystal, mol-ecules are linked via O-H?O hydrogen bonds, forming chains propagating along [010].

| S-EPMC3884329 | biostudies-literature

N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-3-fluoro-benzamide.

Project description:In the title compound, C12H15FN2O2S, the mol-ecule adopts a cis configuration of the fluoro-benzoyl group with respect to the thiono group about their C-N bond. The dihedral angle between the fluoro-benzoyl group and the thio-urea N2CS fragment is 69.60?(11)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules form chains along the b-axis direction via O-H?S and C-H?O hydrogen bonds.

| S-EPMC4011211 | biostudies-literature

N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-2-methyl-benzamide.

Project description:The title compound, C13H18N2O2S, adopts a cis conformation between the methyl-benzoyl and thiono groups across their thio-urea C-N bond. However, the methyl-benzoyl group and N2CS thio-urea moiety are twisted by 15.03?(3)°. In the molecule there is an N-H?O hydrogen bond. In the crystal, mol-ecules are linked by O-H?O inter-actions, generating chains extending along the c-axis direction.

| S-EPMC4011282 | biostudies-literature

Bis(2-hy-droxy-eth-yl)ammonium picrate.

Project description:The asymmetric unit of the title salt, C4H12NO2 (+)·C6H2N3O7 (-), contain two bis-(2-hy-droxy-eth-yl)ammonium cations and two picrate anions. An intra-molecular N-H?O hydrogen bond occurs in each cation. In the crystal, mol-ecules are linked via O-H?O and N-H?O hydrogen bonds, which generate two R 2 (1)(6), an R 2 (2)(10) and an R 2 (2)(13) graph-set ring motifs. There are also a number of C-H?O hydrogen bonds present. The sum of these inter-actions leads to the formation a three-dimensional structure.

| S-EPMC3884432 | biostudies-literature

(tert-But-yl)(2-hy-droxy-eth-yl)ammonium chloride.

Project description:In the cation of the title mol-ecular salt, C6H16NO(+)·Cl(-), the N-C-C-O torsion angle is 176.5?(2)°. In the crystal, the cations and chloride ions are linked by N-H?O and O-H?O hydrogen bonds, generating a two-dimensional network parallel to (100).

| S-EPMC4120598 | biostudies-literature

2,4-Di-chloro-N-[eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]benzamide.

Project description:In the title compound, C12H14Cl2N2O2S, the mol-ecule adopts a cis conformation with respect to the di-chloro-benzoyl group against the thiono group about the C-N bond. However, the di-chloro-benzene group and the thio-urea moiety are twisted by 75.41?(8)°. An intra-molecular N-H?O hydrogen bond occurs between the amido H atom and hydroxyl O atom. In the crystal, O-H?S and O-H?O hydrogen bonds link the molecules, forming chains along the b-axis direction.

| S-EPMC3914078 | 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