Crystal structure of (3s*,4s*)-4-hydroxy-2-(2'methoxyethyl)-3-phenyl-3-4-dihydroisoquinol-1(2h)-one, c18h19no3
journal contribution
posted on 2017-12-06, 00:00authored byL Liu, Ronald Warrener, R Russell, E Tiekink
C18H19NO3, monoclinic, P121/n1 (No. 14), a+8.454(6) A, b=13.123(3) A, c=14.698(3)A,P=104.85(3)o, V=1576.2 A3, Z=4, Rgt(F)=0.062, wRref(F2)=0.184, T=293 K. Source of material. This compound was prepared by the method described in the previous paper [1] but replacing the 3,4-dihydroisoquinoline with N(2'-methoxyethyl)-bezaldimine (0.815 g, 5mmol). Following chromatography, the product was isolated and recrystallised from ethanol in 13% yield (mp 407 K - 407.5 K). The product was characterised by a 3J coupling between the cis-related protons H-3 and H-4 of 6.9 Hz[2]. Experimental details The H atoms were placed in their geometrically calculated positions and included in the final refinement in the riding model approximation.
Funding
Category 1 - Australian Competitive Grants (this includes ARC, NHMRC)
History
Volume
217
Issue
4
Start Page
585
End Page
586
Number of Pages
2
ISSN
1433-7266
Location
Munich, Germany
Publisher
R Oldenbourg
Language
en-aus
Peer Reviewed
Yes
Open Access
No
Era Eligible
No
Journal
Zeitschrift fuer kristallographie - new crystal structures.