Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(R)-(1-Ammonio-prop-yl)phospho-nate.

ABSTRACT: The title compound, C(3)H(10)NO(3)P, crystallizes in its zwitterionic form, H(3)N(+)CH(C(2)H(5))PO(O(-))(OH), with the asymmetric unit being composed by two of such entities (Z' = 2). The crystal packing leads to a sequence of hydro-phobic and hydro-philic layers. While the hydro-phobic layer comprises the aliphatic substituent groups, the hydro-philic one is held together by a series of strong and rather directional N(+)-H?O and O-H?O hydrogen bonds.

SUBMITTER: Fernandes JA

PROVIDER: S-EPMC3009303 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(R)-(1-Ammonio-prop-yl)phospho-nate.

Fernandes José A JA Vilela Sérgio M F SM Almeida Paz Filipe A FA

Acta crystallographica. Section E, Structure reports online 20101020 Pt 11

The title compound, C(3)H(10)NO(3)P, crystallizes in its zwitterionic form, H(3)N(+)CH(C(2)H(5))PO(O(-))(OH), with the asymmetric unit being composed by two of such entities (Z' = 2). The crystal packing leads to a sequence of hydro-phobic and hydro-philic layers. While the hydro-phobic layer comprises the aliphatic substituent groups, the hydro-philic one is held together by a series of strong and rather directional N(+)-H⋯O and O-H⋯O hydrogen bonds. ...[more]

PMID: 21589011

Similar Datasets

(R)-(1-Ammonio-eth-yl)phospho-nate.

Project description:The title compound, C(2)H(8)NO(3)P, crystallizes in its zwitterionic form H(3)N(+)CH(CH(3))PO(O(-))(OH). In the crystal, the molecules are linked by N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC3008088 | biostudies-literature

Oxonium ammonio-(cyclo-prop-yl)methyl-enebis(hydrogenphospho-nate) monohydrate.

Project description:The title compound, H(3)O(+)·C(4)H(10)NO(6)P(2) (-)·H(2)O, was obtained from the reaction of cyclo-propane-carbonitrile with PCl(3), followed by dropwise addition of water. The asymmetric unit comprises an oxonium cation, a zwitterionic monoanion containing a positively charged ammonium group and two negatively charged phospho-nic acid residues and a water mol-ecule of crystallization. The hydroxonium cation and water mol-ecule are hydrogen bonded to the anion and further N-H⋯O and O-H⋯O bonds create a three-dimensional network.

| S-EPMC2960100 | biostudies-literature

A second triclinic polymorph of (1-ammonio-1-phosphono-eth-yl)phospho-nate.

Project description:The asymmetric unit of the second polymorph of the title compound, C(2)H(9)NO(6)P(2), contains one mol-ecule existing as a zwitterion. The N atom of the ammonio group is protonated and one of the phospho-nic acid groups is deprotonated. Bond lengths and angles are similar in both polymorphs. Besides the differences in cell parameters, the most significant structural difference between this structure and that of the first polymorph [Dudko, Bon, Kozachkova, Tsarik & Pekhno (2008 ▶), Ukr. Khim. Zh.74, 104-106] is the presence of strong symmetric hydrogen bonds between neighbouring phospho-nate groups. H atoms involved in these hydrogen bonds are located at inversion centres and O⋯O distances are observed in the range 2.458 (5)-2.523 (5) Å. These bonds and additional O-H⋯O and N-H⋯O hydrogen bonds inter-link the mol-ecules, giving a three-dimensional supromolecular network.

| S-EPMC3151912 | biostudies-literature

Hydroxonium 1-ammonio-ethyl-idene-1,1-bis-phospho-nate.

Project description:The title compound, H(3)O(+)·C(2)H(8)NO(6)P(2) (-), contains a disordered H(3)O(+) cation and an NH(3)C(CH(3))(PO(3)H)(2) anion. The three H atoms of the H(3)O(+) cation are statistically distributed over four positions with occupancies of 0.75, resulting in a pseudo tetra-hedron. Multiple N-H?O and O-H?O hydrogen bonds generate an intricate three-dimensional network.

| S-EPMC2959340 | biostudies-literature

Dimethyl [1-(1-allyl-5-iodo-1H-indol-3-yl)-3-hydroxy-prop-yl]phospho-nate.

Project description:In the title compound, C(16)H(21)INO(4)P, the mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen-bond inter-action. The crystal packing is stabilized by strong inter-molecular O-H ⋯ O hydogen-bonding inter-actions to form a zigzag packing arrangement.

| S-EPMC2960229 | biostudies-literature

[Amino-(iminio)meth-yl]phospho-nate.

Project description:The title compound, CH(5)N(2)O(3)P, exists as a zwitterion. The N atom of the imino group is protonated and the phospho-nic acid group is deprotonated. The mol-ecular geometry about the central C atom of this zwitterionic species was found to be strictly planar with the sum of the three angles about C being precisely 360°. In the crystal, the mol-ecules are inter-linked by O-H⋯O and N-H⋯O hydrogen-bonding inter-actions, forming a three-dimensional supra-molecular network structure.

| S-EPMC3007934 | biostudies-literature

Diethyl [hydr-oxy(phen-yl)meth-yl]phospho-nate.

Project description:Mol-ecules of the title compound, C(11)H(17)O(4)P, are linked into chiral helical chains along the crystallographic b axis via O-H?O hydrogen bonds between the hydr-oxy group and an O atom of the phospho-nate group. One ethyl group is disordered over two positions; the site occupancy factors are ca 0.7 and 0.3.

| S-EPMC2961637 | biostudies-literature

Diisopropyl [(benzoyl-amino)-(phen-yl)meth-yl]phospho-nate.

Project description:The title compound, C(20)H(26)NO(4)P, has been obtained by the reaction of benzoyl chloride and diisoprop-yl[amino-(phen-yl)meth-yl]phospho-nate. The dihedral angle between the planes of the benzoyl-amino group and the phenyl ring is 77.0?(2)°. The crystal structure is stabilized by strong inter-molecular N-H?O hydrogen bonds between the doubly bonded phosphoryl O atom and the amide N atom which link the mol-ecules into pairs about a center of symmetry.

| S-EPMC2968692 | biostudies-literature

Ammonium dihydrogen (1-ammonio-pentane-1,1-di-yl)diphospho-nate.

Project description:The title compound, NH(4) (+)·C(5)H(14)NO(6)P(2) (-), was obtained from 1-ammonio-1-phosphono-pentane-1-phospho-nic acid and ammonium hydroxide in aqueous solution. The asymmetric unit of title compound contains one molecule, which consists of an ammonium cation and an aminodiphosphonic anion with the H atoms transferred from the phosphonic acid group to the amino group. The crystal structure shows a three-dimensional network of O-H?O and N-H?O hydrogen bonds which stabilize the structure.

| S-EPMC2977313 | biostudies-literature

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

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