The crystal and molecular structures of three isoquinoline derivatives: 1-chloro-3-hydroxyisoquinoline, 1-phenyl-2-methyl-3-isoquinolone and 2-(2',6'-dichlorobenzyl)-1-isoquinolone
Abstract
<h2>Acta Crystallographica Section B</h2><h3>Structural Crystallography and Crystal Chemistry</h3><h3>0567-7408</h3> <h2>research papers</h2> Volume 30 Part 5 Pages 1146-1154 May 1974 <h2>The crystal and molecular structures of three isoquinoline derivatives: 1-chloro-3-hydroxyisoquinoline, 1-phenyl-2-methyl-3-isoquinolone and 2-(2',6'-dichlorobenzyl)-1-isoquinolone</h2> H. L. Ammon and G. L. Wheeler 1146 Acta Cryst. (1974). B30, 1146 The Crystal and Molecular Structures of Three Isoquinoline Derivatives: 1-Chloro-3-hydroxyisoquinoline, 1-Phenyl-2-methyl-3-isoquinolone and 2-(2', 6'-Dichlorobenzyl)-l-isoquinolone BY HERMAN L. AMMON AND GEORGE L. WHEELER Department of Chemistry, University of Maryland, College Park, Maryland 20742, U.S.A. (Received 5 October 1973; accepted 28 December 1973) 1-Chloro-3-hydroxyisoquinoline, C9H6CINO, crystallizes in space group P21/c, with a= 9.962 (1), b= 5-685 (1), c=14.671 (2) A, fl=106.360 (9)°, Z=4. 1-Phenyl-2-methyl-3-iso~uinolone, Ct6H13NO, crystallizes in space group P2a/m, with a = 12.580 (2), b = 6.869 (2), c = 14.247 (2)A,/~= 97-14 (1)°, Z= 4. There are two independent molecules on the crystallographic mirror plane. 2-(2',6'-Dichlorobenzyl)-l- isoquinolone, Cx6HlINOCI2, crystallizes in space group P2~/n, with a=9.494 (2), b= 11.012 (2), c= 14"409 (5)A, ,8= 111.02 (1)°, Z=4. The cell constants and intensity data were collected with a Picker FACS-I diffractometer, Mo K~ radiation (2=0.71069 .~), and a graphite monochromator. The struc- tures were solved by Patterson and direct methods and refined by the full-matrix least-squares