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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

Similar Datasets

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-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

(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

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

Diethyl (1-hydr-oxy-1-phenyl-ethyl)phospho-nate.

Project description:The title compound, C(12)H(19)O(4)P, has a distorted tetra-hedral geometry around the P atom. The molecules form dimers with R(2) (2)(10) ring motifs due to inter-molecular O-H?O hydrogen bonds. The double-bonded O atom of the phospho-nate group behaves as an acceptor and the hydr-oxy group acts as a donor. Both of the ethyl groups are disordered with occupancies of 0.55:0.45 and 0.725:0.275.

| S-EPMC2969021 | biostudies-literature

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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