Synthesis and crystal structures of tetraacetylethylenediamine and N-(2-ammoniumethyl)carbamate

Анцышкина, А. С.; Садиков, Г. Г.; Solonina, I. A.; Rodnikova, M. N.

doi:10.1134/s0036023607100154

Cited by 5 publications

(12 citation statements)

References 9 publications

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“…30 The structure is of very low symmetry, with a monoclinic spatial group. The computation for YDMSO has been performed by using a cluster of 27 atoms around the Y center.…”

Section: Table 1: Best Fit Parameters Obtained From the Analysis Of Tmentioning

confidence: 99%

Ab initio X-ray Absorption Spectroscopy Study of the Solvation Structure of Yttrium (III) in Dimethyl Sulfoxide

Díaz‐Moreno

Chaboy

2009

J. Phys. Chem. B

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The solvation structure of yttrium (III) in dimethyl sulfoxide has been determined by studying both the extended X-ray absorption fine structure (EXAFS) and the X-ray absorption near edge structure (XANES) regions of the Y K-edge absorption spectra. Although the EXAFS technique provides accurate information about the next neighbors coordination distances, no unambiguous determination of the coordination polyhedron is obtained. This failure is counteracted by the study of the near-edge part of the absorption spectrum (XANES) because of its high sensitivity to the bonding geometry. We have performed an extensive and systematic ab initio computation of the Y K-edge XANES spectrum of yttrium (III) in dimethyl sulfoxide within the multiple-scattering framework. The comparison between the experimental data and the theoretical calculations has demonstrated that the solvation sphere of the yttrium cation is best modeled by eight dimethyl sulfoxide molecules each oriented to give an Y-O-S angle close to 130 degrees .

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“…30 The structure is of very low symmetry, with a monoclinic spatial group. The computation for YDMSO has been performed by using a cluster of 27 atoms around the Y center.…”

Section: Table 1: Best Fit Parameters Obtained From the Analysis Of Tmentioning

confidence: 99%

Ab initio X-ray Absorption Spectroscopy Study of the Solvation Structure of Yttrium (III) in Dimethyl Sulfoxide

Díaz‐Moreno

Chaboy

2009

J. Phys. Chem. B

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“…N-(2-ammonioethyl)carbamate (AECM), a reactive product of ethylenediamine with CO 2 , was reported previously (Garbauskas et al 1983;Antsyshkina et al 2007). Recently, AECM hydrate, (I) (Scheme 1, Table 1), is prepared from ethylenediamine as starting material in our lab, and its structure is studied hereafter.…”

Section: Commentmentioning

confidence: 96%

“…For N-(2-ammonioethyl)carbamate (AECM), a reactive product of ethylenediamine with CO 2 , see: Garbauskas et al (1983); Antsyshkina et al (2007). For standard bond lengths, see: Allen et al (1987).…”

Section: Related Literaturementioning

confidence: 99%

N-(2-Azaniumylethyl)carbamate monohydrate

Wang

2011

Acta Cryst E

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“…Polymorph (III) crystallizes in the space group Pna2 1 (Garbauskas et al, 1983) and its molecular conformation resembles that of (II). Polymorphs (IV) (Garbauskas et al, 1983) and (V) (Antsyshkina et al, 2007) were refined in the space groups P2 1 /a and P2 1 /c, respectively, and have molecular conformations resembling the conformation of (I). Polymorph (III) forms a hydrogen-bonded network structure, quite dissimilar from either (I) or (II).…”

Section: Figurementioning

confidence: 99%

Graphene-like nets of hydrogen-bonded water molecules in the dihydrate of 2-[(2-ammonioethyl)amino]acetate and the structure of its anhydrous hydroiodide salt

2010

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2-[(2-Ammonioethyl)amino]acetate dihydrate, better known as N-(2-aminoethyl)glycine dihydrate, C(4)H(10)N(2)O(2) x 2 H(2)O, (I), crystallizes as a three-dimensional hydrogen-bonded network. Amino acid molecules form layers in the ac plane separated by layers of water molecules, which form a hydrogen-bonded two-dimensional net composed of fused six-membered rings having boat conformations. The crystal structure of the corresponding hydroiodide salt, namely 2-[(2-ammonioethyl)ammonio]acetate iodide, C(4)H(11)N(2)O(2)(+) x I(-), (II), has also been determined. The structure of (II) does not accommodate any solvent water molecules, and displays stacks of amino acid molecules parallel to the a axis, with iodide ions located in channels, resulting in an overall three-dimensional hydrogen-bonded network structure. N-(2-Aminoethyl)glycine is a molecule of considerable biological interest, since its polyamide derivative forms the backbone in the DNA mimic peptide nucleic acid (PNA).

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Synthesis and crystal structures of tetraacetylethylenediamine and N-(2-ammoniumethyl)carbamate

Cited by 5 publications

References 9 publications

Ab initio X-ray Absorption Spectroscopy Study of the Solvation Structure of Yttrium (III) in Dimethyl Sulfoxide

Ab initio X-ray Absorption Spectroscopy Study of the Solvation Structure of Yttrium (III) in Dimethyl Sulfoxide

N-(2-Azaniumylethyl)carbamate monohydrate

Graphene-like nets of hydrogen-bonded water molecules in the dihydrate of 2-[(2-ammonioethyl)amino]acetate and the structure of its anhydrous hydroiodide salt

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