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Über Pterinchemie. 61. Mitteilung. Die Kristallstruktur von 5‐Formyl‐6,7‐dimethyl‐5,6,7,8‐tetrahydropterin
Author(s) -
Bieri Jost H.,
Viscontini Max
Publication year - 1977
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19770600215
Subject(s) - chemistry , triclinic crystal system , crystal structure , ring (chemistry) , stereochemistry , crystallography , crystal (programming language) , organic chemistry , computer science , programming language
The crystal structure of 5‐formyl‐6,7‐dimethyl‐5,6,7,8‐tetrahydropterine The crystal structure of the title compound, a tetrahydropterine, has been determined by X‐ray analysis (direct method) and refined with 1579 structure amplitudes to R = 0.054. The crystal system is triclinic, space group P 1 , with unit cell dimensions a = 7.171, b = 7.255, c = 12.369 Å, α = 100.64, β = 93.32, γ = 98.27°. The tetrahydropyrazine ring exists in a distinctly flattened conformation. The C(13)‐ and C(14)‐CH 3 ‐groups possess a cis ‐configuration with axial position for C(13)‐CH 3 and equatorial for C(14)‐CH 3 . The carbonyl‐group of the N‐formyl function has an ( E )‐configuration.