Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC3120431 | biostudies-other | 2011 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Jasinski Jerry P JP Golen James A JA Siddaraju B P BP Dayananda A S AS Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20110520 Pt 6

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⋯π inter-actions. ...[more]

PMID: 21754814

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 2-(2-phenyl-eth-yl)benzoate.

Project description: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.

| S-EPMC3152132 | biostudies-other

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

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-[(2-Chloro-phen-yl)(hy-droxy)meth-yl]phenol.

Project description:In the title compound, C13H11ClO2, the dihedral angle between the mean planes of the 2-chloro-phenyl and phenol rings is 87.4?(9)°. The methyl hy-droxy group lies nearly perpendicular to the plane of its attached benzene ring [O-C-C-C torsion angle = 84.3?(3)°]. The two hy-droxy groups lie on the same side of the mol-ecule and are in a slightly twisted gauche conformation [O-C-C-O torsion angle = 77.1?(8)°] to each other. In the crystal, O-H?O hydrogen bonds between nearby methyl-hydroxy groups form dimers in alternating pairs aligned diagonally along the b axis. A view along the c axis reveals a hexa-meric aggregate mediated by a ring of six O-H?O hydrogen bonds generating an R 6 (6)(12) motif loop.

| S-EPMC3793743 | biostudies-literature

4-(4-Chloro-phen-yl)-4-hy-droxy-piperidinium maleate maleic acid solvate.

Project description:In the cation of the title compound, C(11)H(15)ClNO(+)·C(4)H(3)O(4) (-)·C(4)H(4)O(4), the dihedral angle between the mean planes of the chlorine-substituted aromatic ring and the 4-hy-droxy-piperidinium ring (C-C-C-C-C-N) is 61.9?(8)°. Intra-molecular O-H?O and inter-molecular O-H?O and N-H?O hydrogen bonding, as well as weak ?-stacking inter-actions [centroid-centroid distance = 3.646?(5)?Å] help to establish the packing.

| S-EPMC3007433 | biostudies-other

2-Chloro-1-(4-hy-droxy-phen-yl)ethanone.

Project description:The asymmetric unit of the title compound, C(8)H(7)ClO(2), consists of two independent mol-ecules, with comparable geometries. Both mol-ecules are approximately planar (r.m.s. deviations = 0.040 and 0.064?Å for the 11 non-H atoms). In the crystal, mol-ecules are linked via inter-molecular O-H?O and C-H?O hydrogen bonds into chains two mol-ecules thick along (-101).

| S-EPMC3414342 | biostudies-literature

N-(3-Chloro-phen-yl)-2-hy-droxy-benzamide.

Project description:In the title compound, C(13)H(10)ClNO(2), the dihedral angle between the aromatic rings is 5.57?(9)° and intra-molecular N-H?O and C-H?O hydrogen bonds both generate S(6) rings. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds into C(6) chains propagating along [010]. Mol-ecules from neighbouring chains along the z axis are involved in C-H?? and ?-? stacking inter-actions [centroid-centroid distance = 3.9340?(10)?Å].

| S-EPMC3011749 | biostudies-literature

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

Project description:In the title compound, C(15)H(11)BrO(4), the dihedral angle between the aromatic rings is 66.77 (8)°. In the crystal, O-H⋯O, C-H⋯Br and C-H⋯O hydrogen bonds link the mol-ecules, forming layers lying parallel to (101). The crystal packing is further consolidated by C-H⋯π inter-actions and π-π stacking inter-actions [centroid-centroid distance = 3.5476 (7) Å].

| S-EPMC3247591 | biostudies-literature

Tetra-ethyl-ammonium 2-[bis-(4-hy-droxy-phen-yl)meth-yl]benzoate.

Project description:In the title compound, C(8)H(20)N(+)·C(20)H(15)O(4) (-), the benzoate anions are connected by multiple inter-molecular O-H⋯O hydrogen bonds, forming columns propagating along [1[Formula: see text]0]. The hydrogen bonding can be described by two rings with R(2) (2)(22) and R(4) (2)(28) motifs. In the crystal, the tetra-ethyl-ammonium cations are situated between these columns and are linked to them via C-H⋯O inter-actions.

| S-EPMC3238821 | 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