Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium 2-(2-phenyl-eth-yl)benzoate.

ABSTRACT: In the title compound, C(11)H(15)ClNO(+)·C(15)H(13)O(2) (-), the piperidinium ring adopts a chair conformation. In the crystal, cations and anions are connected by inter-molecular O-H?O and N-H?O hydrogen bonds, forming two-dimensional networks parallel to the bc plane. Furthermore, the crystal structure is stabilized by weak C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3152132 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium 2-(2-phenyl-eth-yl)benzoate.

Fun Hoong-Kun HK Hemamalini Madhukar M Siddaraju B P BP Yathirajan H S HS Narayana B B

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

In the title compound, C(11)H(15)ClNO(+)·C(15)H(13)O(2) (-), the piperidinium ring adopts a chair conformation. In the crystal, cations and anions are connected by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds, forming two-dimensional networks parallel to the bc plane. Furthermore, the crystal structure is stabilized by weak C-H⋯π inter-actions. ...[more]

PMID: 21837116

Similar Datasets

[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

4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium benzoate.

Project description:In the title salt, C(11)H(15)ClNO(+)·C(7)H(5)O(2) (-), the dihedral angle between the mean planes of the chloro-phenyl ring of the cation and the benzene ring of the anion is 74.4?(1)°. In the cation, the six-membered piperazine ring adopts a chair conformation. The crystal packing is stabilized by inter-molecular N-H?O and O-H?O hydrogen bonds, and weak inter-molecular C-H?O, C-H?Cl and C-H?? inter-actions.

| S-EPMC3120431 | biostudies-other

N-[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl]propan-2-aminium 4-methyl-benzoate.

Project description:The title compound, C(11)H(17)ClNO(+)·C(8)H(7)O(2) (-), was obtained by the reaction of chlorprenaline {or 1-(2-chloro-phen-yl)-2-[(1-methyl-eth-yl)amino]-ethanol} and p-toluic acid. The chlorpren-aline is twisted moderately with a C-C-C-C torsion angle of 109.6?(2)°. The two mol-ecules are linked by classical O-H?O and N-H?O hydrogen bonds. Further N-H?O hydrogen bonds link two of these units into dimers.

| S-EPMC2983265 | biostudies-literature

2-(4-Chloro-phen-yl)-2-oxoethyl 4-hy-droxy-benzoate.

Project description:The title compound, C(15)H(11)ClO(4), consists of a chloro-benzene ring and a phenol ring which are linked together by a 1,4-dioxo-2-oxabutane-1,4-diyl group. The dihedral angle between the chloro-benzene and phenol rings is 65.70?(11)°. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains along [010].

| S-EPMC3201459 | biostudies-literature

1-[4-(2-Chloro-eth-oxy)-2-hy-droxy-phen-yl]ethanone.

Project description:In the title compound, C(10)H(11)ClO(3), obtained by the reaction of 2,4-dihy-droxy-acetophenone, potassium carbonate and 1-bromo-2-chloro-ethane, an intra-molecular O-H?O hydrogen bond occurs.

| S-EPMC3051432 | biostudies-literature

N-[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl]propan-2-aminium benzoate.

Project description:In the title compound, C(11)H(17)ClNO(+)·C(7)H(5)O(2) (-), obtained by the reaction of chlorprenaline {or 1-(2-chlorophenyl)-2-[(1-methylethyl)amino]ethanol} and benzoic acid, the chlorprenaline is twisted moderately [C-C-C-C torsion angle = -76.00?(17)°] compared with related compounds. The mol-ecules as usual form dimers. In the crystal structure, the two components are connected by classical O-H?O and N-H?O hydrogen bonds.

| S-EPMC3009367 | biostudies-other

1-(2-Hy-droxy-2-phenyl-eth-yl)-3-(4-meth-oxy-phen-yl)urea.

Project description:In the title compound, C(16)H(18)N(2)O(3), the dihedral angle between the 4-meth-oxy-phenyl ring and the urea group is 35.6?(2) °. The H atoms of the urea NH groups are positioned syn to each other. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into a two-dimensional array in the ac plane; the carbonyl-O atom is trifurcated.

| S-EPMC3201395 | biostudies-literature

9-(3-Bromo-5-chloro-2-hy-droxy-phen-yl)-10-(2-hy-droxy-eth-yl)-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.

Project description:In the title compound, C21H21BrClNO4, the dihydro-pyridine ring adopts a flattened boat conformation. The 3-bromo-5-chloro-2-hy-droxy-phenyl ring forms a dihedral angles of 84.44?(7)° with the dihydro-pyridine mean plane. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond, with an S(8) ring motif. In the crystal, O-H?O and C-H?O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3588342 | 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

3-(3-Chloro-2-hy-droxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title compound, C(16)H(11)ClN(2)O(2), the pyrazole ring makes dihedral angles of 11.88?(13) and 22.33?(13)° with the 3-chloro-2-hy-droxy-benzene group and phenyl rings, respectively. The phenolic hy-droxy group forms an intra-molecular O-H?N hydrogen bond with the imine N atom of the pyrazole unit. The formyl group is virtually coplanar with the pyrazole ring [dihedral angle = 4.5?(19)°] and acts as an acceptor in an intra-molecular C-H?O hydrogen bond closing seven-membered ring. In the crystal, adjacent mol-ecules are linked through C-H?O hydrogen bonds into infinite chains along the b axis.

| S-EPMC3201353 | 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