J. Glusker, H. L. Carrell, H. Berman
Mar 15, 1975
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Influential Citations
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Journal
Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
Abstract
The crystal structure of 2-[3-(7-chloro-2-methoxy-10-[benzo[b]-l,5-naphthyridinyl]amino)propylamino]ethanol (ICR-372-OH), a weak mutagen for Salmonella, has been studied by X-ray diffraction using three-dimensional data. When the terminal hydroxyl group of the side chain is replaced by a chlorine atom the product (ICR 372) is a very powerful bacterial mutagen. The crystals are triclinic, space ~ o u p PI', with Z = 2 , F.W. 360-84, cell dimensions a=9.473 (1), b=9.280 (1), c= 10-603 (1) ,~, e=99-64 (1), fl= 101.67 (1), y=101-80 (1) °, V=872.1 (2) ~3. The calculated and measured densities are 1.36 and 1.35 g cm -3 respectively. The structural formula is: