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Crystal Structure of 8a-Methoxy-1,7-dimethyl-dihydro-imidazo[1,5-a]-1,3,5-triazine-2,4,6,8-tetraone, C8H10N4O5 (CROSBI ID 78769)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Modrić, Nevenka ; Poje, Mirko ; Vicković, Ivan Crystal Structure of 8a-Methoxy-1,7-dimethyl-dihydro-imidazo[1,5-a]-1,3,5-triazine-2,4,6,8-tetraone, C8H10N4O5 // Zeitschrift für Kristallographie, 211 (1996), 3; 209-210-x

Podaci o odgovornosti

Modrić, Nevenka ; Poje, Mirko ; Vicković, Ivan

engleski

Crystal Structure of 8a-Methoxy-1,7-dimethyl-dihydro-imidazo[1,5-a]-1,3,5-triazine-2,4,6,8-tetraone, C8H10N4O5

The classic formula for theobromuric acid [1,2] was revised; the correct formula represents a virtually unknown acid aminal array [3]. The crystal structure of its derived methyl ester aminal, the methyl theobromurate, 8a-methoxy-1,7-dimethyl-dihydro-imidazo[1,5-a]-1,3,5-triazine-2,4,6,8-tetraone, corroborates the new assignment based on chemical and spectroscopic evidence. The angular substituent is oriented antiperiplanar to the ring carbonyl C8, torsion angle (C8-C8a-O1-C9)= -172.9(1)degrees. The imide fragment O2-C2-N3-H3 is involved in dimeric association via a pair of hydrogen bonds: H3...O2= 2.10(5) Angstrom, N3...O2= 2.895(2) Angstrom, N3-H3...O2= 154(4)degrees (2-x,-y,1-z).

oxidative transformations; purines; imidazo[1;5-a]-1;3;5-triazines; theobromuric acid; ring transformation

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Podaci o izdanju

211 (3)

1996.

209-210-x

objavljeno

0044-2968

Povezanost rada

Kemija

Indeksiranost