2021
DOI: 10.3390/molecules26113111
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Abstract: Although natural or artificial modified pyrimidine nucleobases represent important molecules with valuable properties as constituents of DNA and RNA, no systematic analyses of the structural aspects of bromo derivatives of cytosine have appeared so far in the literature. In view of the biochemical and pharmaceutical relevance of these compounds, six different crystals containing proton-transfer derivatives of 5-bromocytosine are prepared and analyzed in the solid-state by single crystal X-ray diffraction. All … Show more

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Cited by 2 publications
(2 citation statements)
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“…B97-1 behaves in other way [6], the relative energies of C2a and C2b increase significantly relative to the HF values and overestimate the stability of C1. MP2 results suggest that in solvent of low dielectric constant the C1 and the C2 forms are like to coexist, while, as solvent polarity increases, C1 becomes more and more stable [2].…”
Section: In the Cytosine Tautomersmentioning
confidence: 98%
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“…B97-1 behaves in other way [6], the relative energies of C2a and C2b increase significantly relative to the HF values and overestimate the stability of C1. MP2 results suggest that in solvent of low dielectric constant the C1 and the C2 forms are like to coexist, while, as solvent polarity increases, C1 becomes more and more stable [2].…”
Section: In the Cytosine Tautomersmentioning
confidence: 98%
“…A survey of number of synthetic pyrimidines having interesting biological properties reveals that in such compounds, the position of importance are C-5 and C-6 [1]. The importance of Cy and its 5-halogenated derivatives have been indicated by the considerable number of publications [2][3][4], especially on 5-substituted Cy derivatives because of their biochemistry and pharmacological properties [5,6]. Transformation of Cy into 5-Xcytosine (X = halogen) significantly changes its chemical and spectroscopic properties, as well as its in vivo activity.…”
Section: Introductionmentioning
confidence: 99%