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Über Pterinchemie. Mitteilung. Die Kristallstruktur von 5,6,7-Trimethyl-5,6,7,8-tetrahydropterindihydrochlorid-monohydrat

✍ Scribed by Jost H. Bieri; Max Viscontini

Publisher
John Wiley and Sons
Year
1977
Tongue
German
Weight
310 KB
Volume
60
Category
Article
ISSN
0018-019X

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✦ Synopsis

The crystal structure of 5,6,7‐trimethyl‐5,6,7,8‐tetrahydropterine‐dihydrochloride‐monohydrate

The crystal structure of the title compound has been determined by X‐ray analysis (direct methods) and refined with 947 structure amplitudes to R = 0.026. The crystal system is orthorhombic, space group Pna2~1~, with unit cell dimensions a = 14.081, b = 14.623, c = 6.773 Å. The molecule is protonated at the N(1)‐ and N(5)‐position. The tetrahydropyrazine ring exists in a conformation in which C(6) deviates markedly from the mean plane of the other five atoms. The CH~3~‐groups at N(5) and C(6) possess a trans configuration with a pseudoaxial and an axial conformation respectively. The CH~3~‐groups at C(6) and C(7) in return possess the cis configuration, whereby the CH~3~‐group at C(7) occupies an equatorial conformation.

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