Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Acar N

PROVIDER: S-EPMC2968507 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Acar Nurcan N Tahir M Nawaz MN Yılmaz Hamza H Chishti Muhammad Saeed Ahmad MS Malik Muhammad Ali MA

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

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⋯π inter-action. ...[more]

PMID: 21582150

Similar Datasets

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

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

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 [hydr-oxy(2-nitro-phen-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(9)H(12)NO(6)P, intra-molecular C-H?O hydrogen bonds form five- and six-membered rings. In the crystal, inversion dimers lined by pairs of C-H?O hydrogen bonds occur with ring motifs R(2) (2)(10). The O atom of the hydr-oxy group behaves as an accepter and the benzene ring as donor. Adjacent dimers are connected through O-H?O links.

| S-EPMC2968685 | 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

Dimethyl (2-hydr-oxy-4-phenyl-but-3-en-2-yl)phospho-nate.

Project description:In the title compound, C(12)H(17)O(4)P, the phenyl-butenyl group is disordered over two sets of sites with an occupancy ratio of 0.755?(12):0.245?(12). In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds occur, forming R(2) (2)(10) ring motifs. The packing is consolidated by weak C-H?? inter-actions.

| S-EPMC2971319 | biostudies-other

Diethyl [hydr-oxy(2-nitro-phen-yl)-meth-yl]phospho-nate.

Project description:In the title mol-ecule, C(11)H(16)NO(6)P, the nitro group is twisted out of the mean plane of the benzene ring at 29.91 (3)°. The two ethyl groups are disordered between two orientations in the ratios 0.784 (7)/0.216 (7) and 0.733 (6)/0.267 (6). Inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2915213 | biostudies-literature

Bis(propan-2-yl) [(1S)-1-(4-fluoro-phen-yl)-1-hydr-oxy-2-nitro-ethyl]phospho-nate.

Project description:In the title compound, C(14)H(21)FNO(6)P, a staggered conformation about the central P-C bond occurs, with the oxo and hydroxyl groups occupying diagonally opposite positions. The crystal structure features supra-molecular chains mediated by O-H?O hydrogen bonds, which propagate in the a-axis direction. A C-H?O inter-action consolidates the chains. Disorder was resolved for one of the isopropyl groups with a 0.60?(2):0.40?(2) occupancy ratio for the two components.

| S-EPMC2980027 | biostudies-literature

Methyl [hydr-oxy(phen-yl)phosphono-meth-yl]phospho-nate methanol solvate.

Project description:The title compound, C(8)H(12)O(7)P(2)·CH(4)O, is a monoesterified bis-phospho-nate (or 1-hydroxy-methyl-ene-1,1-bis-phospho-nic acid). These synthetic compounds are widely used in medicine to inhibit bone resorption in diseases like osteoporosis, and are characterized by a stable P-C-P group and are thus analogs of inorganic pyrophosphate. By masking one or several ionizable groups, introduced as phosphono-ester, it was anti-cipated the formation of prodrugs with higher lipophilicity that could facilitate the drug delivery and metabolization. Mol-ecules are paired by inter-molecular hydrogen bonds involving the phospho-nic groups. In addition, dimers are connected side-by-side, building infinite ribbons along the a-axis direction; these ribbons are cross-linked perpendicularly along the b-axis direction via a methanol solvent mol-ecule (disordered over two sites with occupancy factors ca 0.6 and 0.4), forming an extended inter-molecular hydrogen-bonded network. The H atoms of the methyl group in the main molecule are disordered equally over two positions.

| S-EPMC2959469 | biostudies-literature

2-[(2-Hydr-oxy-2,2-diphenyl-ethyl)(meth-yl)amino]-N,N-dimethyl-ethanaminium bromide.

Project description:The title compound, C(19)H(27)N(2)O(+)·Br(-), is the hydro-bromide of the trapping product of lithia-ted N,N,N',N'-tetramethylethylenediamine (TMEDA) with benzophenone. Thereby, the N atom of the NMe(2) group is selectively protonated and the respective trapping product represents a potential tridentate ligand with one O and two N donor atoms. The H atoms at N (H2N) and O (H1O) are involved in hydrogen bonds with the Br(-). The mol-ecular structure shows all donor atoms to be arranged on one side of the mol-ecule, thus indicating a potential threefold coordination of a Lewis acid.

| S-EPMC2968247 | 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