Diaveridine: 2,4-diamino-5-(3',4'-dimethoxybenzyl)pyrimidine

Authors :: G. J. B. Williams
T. F. Koetzle
Source :: Acta Crystallographica Section B. 34:323-326
Publication Year :: 1978
Publisher :: International Union of Crystallography (IUCr), 1978.
Abstract: C/sub 13/H/sub 16/N/sub 4/O/sub 2/, M/sub r/ = 260.92, crystallizes from wet ethanol in the monoclinic space group C2/c, a = 18.140(5), b = 12.796(3), c = 12.332(3) A, ..beta.. = 114.78(1)/sup 0/. D/sub c/ (for eight molecules in the cell of volume 2598.93 A/sup 3/) = 1.169 g cm/sup -3/. The structure was solved with MULTAN and refined by full-matrix least-squares techniques based upon 1838 unique F/sup 2//sub 0/ terms to yield agreement factors R = 0.057 and R/sub w/ = 0.089.