6-(2-Chloroacetamido)hexanoic acid.
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Acetamides↗
Biomedical subjects
Lourdes Urpí
Publications and source records attributed to Lourdes Urpí.
Overview of the structure of all-AT oligonucleotides: organization in helices and packing interactions.
We present the crystalline organization of 33 all-AT deoxyoligonucleotide duplexes, studied by x-ray diffraction. Most of them have very similar structures, with Watson-Crick basepairs and a standard average twist close to 36 degrees. The molecules are organized as parallel columns of stacked duplexes in a helical arrangement. Such organization of duplexes is very regular and repetitive: all sequences show the same pattern. It is mainly determined by the stacking of the terminal basepairs, so that the twist in the virtual TA base step between neighbor duplexes is always negative, approximately -22 degrees. The distance between the axes of parallel columns is practically identical in all cases, approximately 26 A. Interestingly, it coincides with that found in DNA viruses and fibers in their hexagonal phase. It appears to be a characteristic distance for ordered parallel DNA molecules. This feature is due to the absence of short range intermolecular forces, which are usually due to the presence of CG basepairs at the end of the oligonucleotide sequence. The duplexes apparently interact only through their diffuse ionic atmospheres. The results obtained can thus be considered as intermediate between liquid crystals, fibers, and standard crystal structures. They provide new information on medium range DNA-DNA interactions.
Base Composition↗
Morpholine-2,5-dione.
In the title compound, C4H5NO3, the morpholine ring adopts a boat conformation that is distorted towards twist-boat, the boat ends being the two Csp3 atoms of the ring. The molecular packing is stabilized by the establishment of strong intermolecular NH...OC hydrogen bonds, which give rise to centrosymmetric dimers, and a network of weak CH2...OC hydrogen bonds, where each dimer interacts with eight neighbouring morpholinedione rings.
Crystallography, X-Ray↗
N,N'-Butane-1,4-diylbis(bromoacetamide).
The title compound, C8H14Br2N2O2, lies about an inversion centre and adopts a pleated conformation, with the C(O)-NH-CH2-CH2 and NH-CH2-CH2-CH2 torsion angles of the butanediamine residue being -89.5 (6) and -62.1 (7) degrees, respectively. These data are useful in discerning the structure of polymers containing such a unit. A skew conformation is found for the Br-CH(2)-C(O)-NH torsion angle [-124.2 (4) degrees]. The molecular packing is stabilized by strong hydrogen bonds between amide groups and also by weak CH2...OC interactions. In this way, each molecule interacts with its six closest neighbours through eight hydrogen bonds.
Acetamides↗
Butane-1,4-diyl bis(chloroacetate).
The title compound, C(8)H(12)Cl(2)O(4), lies about an inversion centre. The molecular conformation is characterized by a tgt-gt conformation for the butanedioxy moiety and a trans conformation for the ClCH(2)-C(=O)O bond. The molecular packing is stabilized by a network of weak CH(2)...O=C intermolecular hydrogen bonds, where each molecule interacts with its four closest neighbours.
Journal Article↗
N-chloroacetyl-beta-alanine.
The beta-alanine residue of the title compound, C(5)H(8)ClNO(3), has a ggt folded conformation, which is mainly stabilized through intermolecular N-H...O=C (amide-acid) and O-H...O=C (acid-amide) hydrogen bonds. In addition, a cis conformation is found for the Cl-CH(2)-C(=O)-NH torsion angle, which is associated with the presence of an intramolecular hydrogen bond.
Biodegradation, Environmental↗