Crystal structure, vibrational, spectral investigation, quantum chemical DFT calculations and thermal behavior of Diethyl [hydroxy (phenyl) methyl] phosphonate

Epigenetic systems involved in the dynamics of gene expression, which are fundamental to cell determination and function without alteration in DNA sequences, are based on methylation of the N-terminal tails of lysine residues and DNA methylation. We demonstrate the vital importance for genetic transfer by different (hydrogen) networks, suggesting a complex interaction between the two epigenetic modifications. In other words, the methylation of local lysines can prescribe C(P)G methylation, which requires that methylation of histones and DNA are cooperative in carrying out an epigenetic instruction for integrating gene-silencing networks. To give a bio-organic description of the epigenetic coherence between histone and base methylation, we used the well-known B- into Z-DNA dynamics in combination with the unique properties of phosphatemethylated DNA on different levels of chemistry.

Dna Systems for B-Z Transition and Their Significance as Epigenetic Model: The Fundamental Role of the Methyl Group

The title compound, C12H9Cl2NO2, was prepared by the esterification of 3,7-dichloro­quinoline-8-carboxylic acid with triethyl phosphite. The crystal structure is stabilized by aromatic π–π stacking between the benzene and the pyridine rings of neighbouring mol­ecules [centroid–centroid distances = 3.716 (2) and 3.642 (2) A]. In addition, weak inter­molecular C—H⋯N hydrogen bonds are present in the structure.

/pdf/ethyl-3-7-dichloro-quinoline-8-carboxyl-ate-43fcfp8mrl.pdf

Ethyl 3,7-dichloro­quinoline-8-carboxyl­ate

In the title compound, C(12)H(17)N(2)O(5)P, the phospho-nate group is almost orthogonal to both the ethyl groups, with a dihedral angle of 83.75 (11)°. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of O-H⋯O hydrogen bonds with an R(2) (2)(20) graph-set motif. The crystal structure is further consolidated by weak C-H⋯π inter-actions.

https://journals.iucr.org/e/issues/2011/04/00/pv2396/pv2396.pdf

4-[(Dieth­oxy­phosphino­yl)meth­yl]benzoic acid

Mol­ecules of the title compound, C11H17O4P, are linked into chiral helical chains along the crystallographic b axis via O—H⋯O hydrogen bonds between the hydr­oxy group and an O atom of the phospho­nate group. One ethyl group is disordered over two positions; the site occupancy factors are ca 0.7 and 0.3.

/pdf/diethyl-hydr-oxy-phen-yl-meth-yl-phospho-nate-1tie7o9leq.pdf

Diethyl [hydr­oxy(phen­yl)meth­yl]phospho­nate

In the title compound, [Zn(C10H4Cl2NO2)2(H2O)2]·H2O, the Zn atom has a distorted square-pyramidal geometry comprising two O atoms and one N atom from two distinct 3,7-dichloro­quinoline-8-carboxyl­ate ligands, and two water mol­ecules The free water mol­ecules are involved in inter­molecular O—H⋯O hydrogen bonding with the coordinated water mol­ecules and carboxyl­ate O atoms, to give a one-dimensional helical chain along the [100] direction

/pdf/diaqua-bis-3-7-dichloro-quinoline-8-carboxyl-ato-zinc-ii-1sapqjrgzf.pdf

Li-Tao An

Papers

Diethyl [hydroxy(phenyl)methyl]phosphonate

Diaqua-bis(3,7-dichloro-quinoline-8-carboxyl-ato)zinc(II) monohydrate.

Ethyl 3,7-dichloroquinoline-8-carboxylate