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

ABSTRACT: 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.

SUBMITTER: Wu Y

PROVIDER: S-EPMC2959340 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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

Wu Ying Y Yin Du-Lin DL

Acta crystallographica. Section E, Structure reports online 20080920 Pt 10

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. ...[more]

PMID: 21201167

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Hydroxonium 1-ammonio-ethane-1,1-diyl-diphospho-nate.

Project description:The title complex, H(3)O(+)·NH(3)C(CH(3))(PO(3)H)(2) (-), contains a hydroxonium ion and an NH(3)C(CH(3))(PO(3)H)(2) (-) anion. The three H atoms of H(3)O(+) form a pseudo-tetra-hedron by being distributed over four positions with occupation factors of 0.75. Multiple N-H⋯O and O-H⋯O hydrogen bonds in the crystal structure form an intricate three-dimensional supra-molecular network.

| S-EPMC2968973 | 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

(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

Ammonium 1-ammonio-ethane-1,1-diylbis(hydrogenphospho-nate) dihydrate.

Project description:The title compound, NH(4) (+)·C(2)H(8)NO(6)P(2) (-)·2H(2)O, was obtained by the reaction between 1-amino-ethane-1,1-diyldiphospho-nic acid and ammonium hydroxide (1:1) in an aqueous solution. The asymmetric unit contains one anion with two H atoms transferred from the phospho-nic acid groups to the amino group of the anion and to an ammonia mol-ecule, giving an ammonium cation. The structure displays N-H⋯O and O-H⋯O hydrogen bonding, which creates a three-dimensional network.

| S-EPMC2960039 | 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

Tetra-aqua-bis[(1-ammonio-1-phosphono-ethyl)phospho-nato]zinc(II) tetra-hydrate.

Project description:The title compound, [Zn(C(2)H(8)NO(6)P(2))(2)(H(2)O)(4)]·4H(2)O, was synthesized by the reaction of ZnCl(2) with 1-amino-ethane-1,1-diyldiphospho-nic acid in aqueous solution. The asymmetric unit contains one-half of the complex and two water mol-ecules of solvation. The Zn atom occupies a special position on an inversion centre. This results in a slightly distorted octa-hedral coordination environment, which consists of the O atoms from two phospho-nic acids and four water mol-ecules. The crystal structure displays N-H⋯O and O-H⋯O hydrogen bonding, which creates a three-dimensional network.

| S-EPMC2969005 | 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.

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Dimethyl (1-hydr-oxy-1,2-diphenyl-ethyl)phospho-nate.

Project description:In the crystal of the title compound, C(16)H(19)O(4)P, the mol-ecules are dimerized with R(2) (2)(10) ring motifs through the hydr-oxy and P=O O atoms. The dihedral angle between the aromatic rings is 66.89?(9)°. There are ?-? inter-actions [centroid-centroid distance = 3.9669?(16)?Å] between the benzene rings of adjacent benzyl groups. A C-H?? inter-action between the aromatic rings where C-H is from a benzyl group is also present.

| S-EPMC2977278 | biostudies-literature

Dimethyl (1-hydr-oxy-1,2-diphenyl-ethyl)phospho-nate.

Project description:In the mol-ecule of the title compound, C(16)H(19)O(4)P, the coordination around the P atom is distorted tetra-hedral. The aromatic rings are oriented at a dihedral angle of 72.28?(11)°. Intra-molecular C-H?O hydrogen bonding result in the formation of five- and six-membered rings. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules. There is also a weak C-H?? inter-action.

| S-EPMC2968507 | biostudies-literature

Diethyl (1-hydr-oxy-1,2-diphenyl-ethyl)phospho-nate.

Project description:In the title compound, C(18)H(23)O(4)P, the dihedral angle between the aromatic ring planes is 69.94?(14)°. Both ethyl side chains are disordered over two sets of sites, with occupancy ratios of 80:20 and 70:30. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds occur, leading to R(2) (1)(8) loops, and C-H?O and weak C-H?? inter-actions are also seen.

| S-EPMC2969590 | biostudies-literature

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