Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Piperidinium N-(ferrocenylcarbon-yl)glycinate.

ABSTRACT: The title compound, (C(5)H(12)N)[Fe(C(5)H(5))(C(8)H(7)NO(3))], resulting from neutralization of N-(ferrocenylcarbon-yl)glycine with piperidine, is built up from discrete ions that assemble into sheets via the combination of conventional and weak hydrogen bonds. The key repeating unit is constituted by two piperidium cations and two carboxylate anions that assemble into a centrosymmetric array via conventional and bifurcated N-H?O hydrogen bonds. The aggregates thus formed are further interlinked by N-H?O interactions and supportive C-H?O contacts into layers oriented parallel to the bc plane.

SUBMITTER: Stepnicka P

PROVIDER: S-EPMC3011418 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Piperidinium N-(ferrocenylcarbon-yl)glycinate.

Stěpnička Petr P Zábranský Martin M Císařová Ivana I

Acta crystallographica. Section E, Structure reports online 20101106 Pt 12

The title compound, (C(5)H(12)N)[Fe(C(5)H(5))(C(8)H(7)NO(3))], resulting from neutralization of N-(ferrocenylcarbon-yl)glycine with piperidine, is built up from discrete ions that assemble into sheets via the combination of conventional and weak hydrogen bonds. The key repeating unit is constituted by two piperidium cations and two carboxylate anions that assemble into a centrosymmetric array via conventional and bifurcated N-H⋯O hydrogen bonds. The aggregates thus formed are further interlinked ...[more]

PMID: 21589213

Similar Datasets

Zwitterionic (4-benzyl-piperidinium-1-yl-meth-yl)phospho-nate.

Project description:The title compound, C(13)H(20)NO(3)P, exists as a zwitterion: the phospho-nic acid group has transferred its H atom to the amino group. The piperidine ring adopts a chair conformation. Mol-ecules are linked via hydrogen bonding to form a linear chain.

| S-EPMC2914981 | biostudies-literature

1-(3-Oxo-3-phenyl-prop-yl)piperidinium chloride.

Project description:In the title salt, C14H20NO(+)·Cl(-), the piperidine ring adopts a chair conformation. In the crystal, the cations and anions are linked by classical N-H?Cl hydrogen bond and weak C-H?Cl and C-H?O hydrogen bonds; the C-H?O hydrogen bonds exhibit R 2 (2)(14) ring motifs while the C-H?Cl hydrogen bonds link the mol-ecules into chains along the a-axis direction. ?-? stacking is observed between parallel phenyl rings of adjacent cations, the centroid-centroid distance being 3.8164?(15)?Å.

| S-EPMC3885028 | biostudies-literature

(3S,4R)-4-(4-Fluoro-phen-yl)-3-(hydroxy-meth-yl)piperidinium chloride.

Project description:The title compound, C(12)H(17)FNO(+)·Cl(-), is a degradation impurity of paroxetine hydro-chloride hemihydrate (PAXIL), an anti-depressant belonging to the group of drugs called selective serotonin reuptake inhibitors (SSRIs). Similar to the paroxetine hydro-chloride salt with protonation having taken place on the basic piperidine ring, the degradation impurity also exists as the hydro-chloride salt. The cyclic six-membered piperidinium ring adopts a chair conformation with the hydroxy-methyl and 4-fluoro-phenyl groups in the equatorial positions. The ions form a tape along the b axis through charge-assisted N(+)-H⋯Cl(-) hydrogen bonds; these tapes are connected by O-H⋯Cl(-) hydrogen bonds along the a axis.

| S-EPMC2961281 | biostudies-literature

Dibromido{2-[2-(piperidinium-1-yl)ethyl-imino-meth-yl]phenolato}zinc(II) monohydrate.

Project description:The asymmetric unit of the title compound, [ZnBr(2)(C(14)H(20)N(2)O)]·H(2)O, consists of a mononuclear Schiff base zinc(II) complex mol-ecule and a solvent water mol-ecule. The Zn(II) atom is four-coordinated in an approximately tetra-hedral geometry, binding to the imine N and phenolate O atoms of the neutral zwitterionic Schiff base ligand and to two terminal Br(-) anions. In the crystal structure, mol-ecules are linked through inter-molecular O-H⋯Br and O-H⋯O hydrogen bonds, forming chains running along the b axis.

| S-EPMC2961651 | biostudies-literature

{2-Eth-oxy-6-[2-(piperidinium-1-yl)ethyl-imino-meth-yl]phenolato}diiodidozinc(II).

Project description:The title Schiff base complex, [ZnI(2)(C(16)H(24)N(2)O(2))], is a mononuclear zinc(II) compound. The Zn atom is four-coordinated in a distorted tetra-hedral geometry by one phenolate O atom and one imine N atom of the Schiff base ligand and by two iodide ions. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds, forming chains running along the a axis.

| S-EPMC2971938 | biostudies-literature

2-(4-Carb-oxy-piperidinium-1-yl)pyridine-3-carboxyl-ate.

Project description:The title compound, C(12)H(14)N(2)O(4), crystallizes as a zwitterion. A negative charge is delocalized in the deprotonated carboxyl group attached to the pyridine ring. The piperidine N atom accepts a proton and the ring is transformed into a piperidinium cation. There is an intra-molecular N-H⋯O hydrogen bond between the protonated NH and a carboxyl-ate O atom. In the crystal, an O-H⋯O hydrogen bond between the carboxyl group and the carboxyl-ate O atom of another mol-ecule generates a helix along the b axis.

| S-EPMC3297954 | biostudies-literature

Methyl N-[(4-chloro-phen-yl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)meth-yl]glycinate.

Project description:The title compound, C(20)H(18)ClN(3)O(3), is in an enamine-keto form, stabilized by two strong intra-molecular N-H?O hydrogen bonds. The pyrazole ring is oriented at dihedral angles of 4.13?(3) and 85.60?(3)° with respect to the aromatic rings. The dihedral angle between the aromatic rings is 81.79?(3)°. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules into double chains, which are further linked by weak C-H?? inter-actions, forming a two-dimensional network.

| S-EPMC2977320 | biostudies-literature

Bis[4-(4-chloro-phen-yl)-4-hydroxy-piperidinium] dipicrate dimethyl sulfoxide solvate.

Project description:The asymmetric unit of the title salt solvate, 2C(11)H(15)ClNO(+)·2C(6)H(2)N(3)O(7) (-)·C(2)H(6)OS, contains two crystallographically independent 4-(4-chloro-phen-yl)-4-hydroxy-piperidinium cations, two picrate anions and a dimethyl sulfoxide solvent mol-ecule. In each cation, the piperidinium ring adopts a chair conformation. In the crystal structure, the cations, anions and solvent mol-ecules are connected by inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2979285 | biostudies-literature

4-[(E)-(2,4-Difluoro-phen-yl)(hydroxy-imino)meth-yl]piperidinium picrate.

Project description:The title compound, C(12)H(15)F(2)N(2)O(+)·C(6)H(2)N(3)O(7) (-), a picrate salt of 4-[(E)-(2,4-difluoro-phen-yl)(hydroxy-imino)meth-yl]piper-idine, crystallizes with two independent mol-ecules in a cation-anion pair in the asymmetric unit. In the cation, a methyl group is tris-ubstituted by hydroxy-imino, piperidin-4-yl and 2,4-difluoro-phenyl groups, the latter of which contains an F atom disordered over two positions in the ring [occupancy ratio 0.631?(4):0.369?(4)]. The mean plane of the hydr-oxy group is in a synclinical conformation nearly orthogonal [N-C-C-C = 72.44?(19)°] to the mean plane of the piperidine ring, which adopts a slightly distorted chair conformation. The dihedral angle between the mean plane of the 2,4-difluoro-phenyl and piperidin-4-yl groups is 60.2?(3)°. In the picrate anion, the mean planes of the two o-NO(2) and single p-NO(2) groups adopt twist angles of 5.7?(2), 25.3?(7) and 8.3?(6)°, respectively, with the attached planar benzene ring. The dihedral angle between the mean planes of the benzene ring in the picrate anion and those in the hydroxy-imino, piperidin-4-yl and 2,4-difluoro-phenyl groups in the cation are 84.9?(7), 78.9?(4) and 65.1?(1)°, respectively. Extensive hydrogen-bond inter-actions occur between the cation-anion pair, which help to establish the crystal packing in the unit cell. This includes dual three-center hydrogen bonds with the piperidin-4-yl group, the phenolate and o-NO(2) O atoms of the picrate anion at different positions in the unit cell, which form separate N-H?(O,O) bifurcated inter-molecular hydrogen-bond inter-actions. Also, the hydr-oxy group forms a separate hydrogen bond with a nearby piperidin-4-yl N atom, thus providing two groups of hydrogen bonds, which form an infinite two-dimensional network along (011).

| S-EPMC2970333 | biostudies-other

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

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