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Structure of debrisoquinium sulfate

Authors :
Suhail A. Islam
Michael J.E. Sternberg
Paul A. Bates
Source :
Acta Crystallographica Section C Crystal Structure Communications. 49:300-303
Publication Year :
1993
Publisher :
International Union of Crystallography (IUCr), 1993.

Abstract

3,4-Dihydro-2(1H)-isoquinolinecarboxamidinium sulfate, 2C 10 H 14 N + 3. SO 4 2- , M r =448.5, monoclinic, C2/c, a=27.214 (10), b=6.552 (1), c=13.241 (1) A, β=113.35 (2) o , V=2168 (1) A 3 , Z=4, D x =1.375 g cm -3 , λ(Mo Kα)=0.7107 A, μ=1.81 cm -3 , F(000)=952, room temperature, final R=0.042 for 2446 unique reflections [1661 observed with I>3σ(I)]. The relative orientations of the two h atoms on C(4) of debrisoquin, one of which is enzymatically replaced by a hydroxyl group, is discussed

Details

ISSN :
01082701
Volume :
49
Database :
OpenAIRE
Journal :
Acta Crystallographica Section C Crystal Structure Communications
Accession number :
edsair.doi...........2c52050da4cf425624ea282e57a431b2
Full Text :
https://doi.org/10.1107/s010827019200893x