Naslov
Crystal structure study of the novel nucleoside analogues of the 1-aminocyclopropane-1-carboxylic acid

Autori
Cetina, Mario ; Mrvoš-Sermek, Draginja ; Hergold-Brundić, Antonija ; Nagl, Ante ; Džolić, Zoran ; Mintas, Mladen

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Twelfth Croatian-Slovenian Crystallographic Meeting / - Zagreb, 2003, 49-49

Skup
12th Croatian-Slovenian Crystallographic Meeting

Mjesto i datum
NP Plitvička jezera, Hrvatska, 19.06.2003. - 22.06.2003

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
1-aminocyclopropane-1-carboxylic acid ; single crystal X-ray analysis ; hydrogen bonds

Sažetak
The use of rigid amino acids has been a most successful approach to investigate the bioactive structure of peptides. Among the most widely used non-protein alpha-amino acids is 1-aminocyclopropane-1-carboxylic acid, which is capable of stabilizing helices or inducing turns into peptides. Herein we describe the crystal structures of two 1-aminocyclopropane-1-carboxylic acid derivatives carrying nucleobases: (Z)-methyl 1-benzamido-2-(6-(N-pyrrolyl)purine-9-yl)cyclopropanecarboxylate ethanol solvate (1) and (Z)-methyl 1-benzamido-2-(5-methyl-2, 4(1H, 3H)pyrimidinedione-1-yl)cyclopropanecarboxylate (2). Very weak intermolecular C-H&#8729 ; &#8729 ; &#8729 ; O hydrogen bonds [3.407(3) &Aring ; ] connect the molecules of 1 into dimers, defined by graph-set notation as . The dimers are linked with the ethanol molecules by O-H&#8729 ; &#8729 ; &#8729 ; O [2.875(4) &Aring ; ] and C-H&#8729 ; &#8729 ; &#8729 ; O [3.310(6) &Aring ; ] hydrogen bonds, thus forming discrete units. In the crystal structure of 2, the intermolecular hydrogen bonds of N-H&#8729 ; &#8729 ; &#8729 ; O and C-H&#8729 ; &#8729 ; &#8729 ; O types [2.882(2) ; 3.364(3) &Aring ; ] form rings, whereas two intermolecular C-H&#8729 ; &#8729 ; &#8729 ; O hydrogen bonds [3.427(3) &Aring ; ] form rings. Two additional intermolecular C-H&#8729 ; &#8729 ; &#8729 ; O hydrogen bonds [3.349(3) ; 3.426(3) &Aring ; ] link the molecules forming three-dimensional network.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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