Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-{1-[2-((2-Ammonio-ethyl){2-[1-(5-chloro-2-hydroxy-phen-yl)ethyl-idene-amino]eth-yl}amino)ethyl-iminio]eth-yl}-4-chloro-phenolate trifluoro-acetate.

ABSTRACT: In the title ion-pair, C(22)H(29)Cl(2)N(4)O(2) (+)·C(2)F(3)O(2) (-), ammonium-carboxyl-ate N-H?O hydrogen bonds link two cations and two anions about a centre of inversion to generate a hydrogen-bonded tetramer. In the cation, one of the imino N atoms is protonated and donates a hydrogen bond to the O atom of the adjacent chloro-phenyl ring. The other imino N atom acts as a hydrogen-bond acceptor from a phenolate O atom.

SUBMITTER: Lee SM

PROVIDER: S-EPMC2968282 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-{1-[2-((2-Ammonio-ethyl){2-[1-(5-chloro-2-hydroxy-phen-yl)ethyl-idene-amino]eth-yl}amino)ethyl-iminio]eth-yl}-4-chloro-phenolate trifluoro-acetate.

Lee See Mun SM Ali Hapipah Mohd HM Lo Kong Mun KM Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090128 Pt 2

In the title ion-pair, C(22)H(29)Cl(2)N(4)O(2) (+)·C(2)F(3)O(2) (-), ammonium-carboxyl-ate N-H⋯O hydrogen bonds link two cations and two anions about a centre of inversion to generate a hydrogen-bonded tetramer. In the cation, one of the imino N atoms is protonated and donates a hydrogen bond to the O atom of the adjacent chloro-phenyl ring. The other imino N atom acts as a hydrogen-bond acceptor from a phenolate O atom. ...[more]

PMID: 21582002

Similar Datasets

2-{1-[2-(Bis{2-[1-(5-chloro-2-hydroxy-phen-yl)ethyl-ideneamino]eth-yl}amino)-ethyl-iminio]eth-yl}-4-chloro-phenolate toluene hemisolvate.

Project description:In the toluene hemisolvated tripodal tris-(2-amino-ethyl)amine Schiff base, C(30)H(33)Cl(3)N(4)O(3)·0.5C(7)H(8), one of the three imino N atoms is protonated, forming a hydrogen bond with the O atom at an adjacent benzene ring. The other two imino N atoms act as hydrogen-bond acceptors from phenolate OH groups. The toluene solvent mol-ecule is disordered about a centre of inversion.

| S-EPMC2968323 | biostudies-literature

2-Amino-5-chloro-pyridinium trifluoro-acetate.

Project description:The asymmetric unit of the title salt, C(5)H(6)ClN(2) (+)·C(2)F(3)O(2) (-), contains two independent 2-amino-5-chloro-pyridinium cations and two independent trifluoro-acetate anions. The F atoms of both anions are disordered over two sets of positions, with occupancy ratios of 0.672 (12):0.328 (12) and 0.587 (15):0.413 (15). In the crystal, the cations and anions are linked via N-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001).

| S-EPMC2983973 | biostudies-literature

Dichloridobis(2-{1-[2-(1H-indol-3-yl)ethyl-iminio]eth-yl}phenolate-?O)zinc(II)-2-{1-[2-(1H-indol-3-yl)ethyl-iminio]eth-yl}phenolate (1/2).

Project description:In the mononuclear complex mol-ecule of the title compond, [ZnCl(2)(C(18)H(18)N(2)O)(2)]·2C(18)H(18)N(2)O, the Zn atom, which lies on a twofold rotation axis, is coordinated by phenolate O atoms in a tetra-hedral coordination geometry. The coordinated Schiff base uses its indole NH donor site to form a hydrogen bond to the negatively charged phenolate O atom of the uncoordinated zwitterionic Schiff base. There is an intra-molecular N-H?O hydrogen bond in the coordinated and uncoordinated Schiff bases. The indole NH site of the uncoordinated Schiff base does not engage in a hydrogen-bond inter-action. The CH(2)-CH(2) group in the uncoordinated Schiff base is disordered equally over two positions.

| S-EPMC2961161 | biostudies-literature

4-{2-[(5-Chloro-2-hydroxy-benzyl-idene)amino]eth-yl}benzene-sulfonamide.

Project description:In the mol-ecule of the title compound, C(15)H(15)ClN(2)O(3)S, the S atom adopts a distorted tetra-hedral coordination geometry with two O atoms, one N atom of the amide group and one C atom of the aromatic ring. An intra-molecular O-H⋯N hydrogen bond results in the formation of a planar six-membered ring, which is oriented with respect to the adjacent aromatic ring at a dihedral angle of 3.38 (11)°. Thus, the two rings are nearly coplanar. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2960939 | biostudies-literature

(E)-2-[(2-Hydroxy-ethyl)iminiometh-yl]-6-methoxy-phenolate.

Project description:The title Schiff base compound, C(10)H(13)NO(3), obtained by the reaction of 2-hydr-oxy-3-methoxy-benzaldehyde and 2-amino-ethanol in methanol solution, crystallizes in a zwitterionic form, in which the mol-ecule adopts a trans configuration about the central C=N bond. An intra-molecular N-H?O hydrogen bond occurs. In the crystal structure, mol-ecules are linked into chains by inter-molecular O-H?O hydrogen bonding.

| S-EPMC2968608 | biostudies-literature

Diethyl [2,2,2-trifluoro-1-phenyl-sulfonyl-amino-1-(trifluoro-meth-yl)eth-yl]phospho-nate.

Project description:The title compound, C(13)H(16)F(6)NO(5)PS, is of inter-est with respect to inhibition of serine hydro-lases. Its structure contains a 1.8797 (13) Å P-C bond and two inter-molecular N-H⋯O=P hydrogen bonds, resulting in centrosymmetric dimers. An intra-molecular N-H⋯O=P hydrogen bond is also present.

| S-EPMC2600860 | biostudies-literature

4,5,6,7-Tetra-chloro-2-(2,2,2-trifluoro-eth-yl)isoindoline-1,3-dione.

Project description:In the title compound, C(10)H(2)Cl(4)F(3)NO(2), the isoindoline ring system is almostplanar, the maximum atomic deviation being 0.064?(2)?Å. The C-C bond of the ethyl-ene group is twisted with respect to the isoindoline plane by a dihedral angle of 59.58?(12)°. In the crystal, weak inter-molecular C-H?F hydrogen bonding links the mol-ecules into supra-molecular chains running along the a axis. A short inter-molecular Cl?O contact of 2.950?(3)?Å is also observed.

| S-EPMC3006784 | biostudies-literature

3-{1-[2-(2-Chloro-phen-yl)hydrazinyl-idene]-2,2,2-trifluoro-eth-yl}-7-diethyl-amino-2H-chromen-2-one.

Project description:The title compound, C(21)H(19)ClF(3)N(3)O(2), has a structure related to other coumarin derivatives that have been used as fluorescent probes of metal ions. The dihedral angle between the coumarin ring system and the chlorobenzene ring is 42.99?(9)°. Intra-molecular hydrogen bonding occurs via N-H?O and N-H?Cl inter-actions, generating S(7) and S(5) rings, respectively. The crystal packing is stabilized by weak C-H?O hydrogen bonds.

| S-EPMC3200584 | biostudies-literature

Ethyl 2-chloro-[2-(4-chloro-phen-yl)hydrazin-1-yl-idene]acetate.

Project description:The title compound, C(10)H(10)Cl(2)N(2)O(2), features a planar C(ar)-N(H)-N=C(Cl) unit [torsion angle = 5.5 (4)°] whose benzene substituent is coplanar with it [dihedral angle = 4.7 (4)°]; this unit is slightly twisted with respect to the carboxyl -CO(2) fragment [dihedral angle = 2.2 (52)°]. The amino group acts as a hydrogen-bond donor to the carbonyl O atom of an adjacent mol-ecule; the hydrogen bond generates a helical polymer that runs along the b axis of the monoclinic unit cell.

| S-EPMC3007972 | biostudies-literature

Ethyl 3-[1-(2-hydroxy-phen-yl)eth-ylidene]carbazate.

Project description:The title compound, C(11)H(14)N(2)O(3), was prepared by the reaction of ethyl carbazate and 1-(2-hydroxy-phen-yl)ethanone. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, forming centrosymmetric dimers. An intra-molecular O-H?N inter-action also occurs.

| S-EPMC2971139 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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