A Combined Experimental and Computational Study of Halogen and Hydrogen Bonding in Molecular Salts of 5-Bromocytosine.
5-bromocytosine
DFT
DNA
QTAIM
X-ray diffraction
biomolecular engineering
halogen bonding
hydrogen bonding
modified nucleobases
molecular recognition
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
23 May 2021
23 May 2021
Historique:
received:
03
04
2021
revised:
11
05
2021
accepted:
17
05
2021
entrez:
2
6
2021
pubmed:
3
6
2021
medline:
23
6
2021
Statut:
epublish
Résumé
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 six compounds are organic salts, with proton transfer occurring to the N
Identifiants
pubmed: 34070959
pii: molecules26113111
doi: 10.3390/molecules26113111
pmc: PMC8196974
pii:
doi:
Substances chimiques
Halogens
0
Protons
0
Pyridines
0
5-bromocytosine
2737MSZ714
RNA
63231-63-0
Hydrogen
7YNJ3PO35Z
Cytosine
8J337D1HZY
DNA
9007-49-2
Cysteine
K848JZ4886
pyridine
NH9L3PP67S
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
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