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

ABSTRACT: 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.

SUBMITTER: Fernandes JA

PROVIDER: S-EPMC3008088 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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

Fernandes José A JA Almeida Paz Filipe A FA Vilela Sérgio M F SM Tomé João P C JP Cavaleiro José A S JA Ribeiro-Claro Paulo J A PJ Rocha João J

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

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. ...[more]

PMID: 21588628

Similar Datasets

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

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

Project description: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.

| S-EPMC3009303 | 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

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

Triethyl-ammonium (S)-(-)-O-[1-(2-naphth-yl)eth-yl] (4-meth-oxy-phen-yl)dithio-phospho-nate.

Project description:The crystal structure of the title compound, C(6)H(16)N(+)·C(19)H(18)O(2)PS(2) (-), consists of the dithio-phospho-nate anions and the triethyl-ammonium cations, which are linked by N-H⋯S hydrogen bonds and weak C-H⋯O hydrogen bonds. In the anion, the benzene ring is oriented with respect to the naphthalene ring system at a dihedral angle of 24.92 (5)°. In the crystal, weak C-H⋯π inter-actions also occur.

| S-EPMC3089098 | 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

Diisopropyl {[(R)-2-(2-amino-6-chloro-9H-purin-9-yl)-1-methyl-eth-oxy]meth-yl}-phospho-nate.

Project description:In the title compound, C(15)H(25)ClN(5)O(4)P, the r.m.s. deviation for the purine ring system is 0.0165 Å. The coordination about the P atom is a distorted tetrahedron [O=P-O angles = 116.70 (6) and 109.87 (6)°]. In the crystal, molecules are linked by N-H⋯O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3343918 | 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

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

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

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