Abstract

<h2>Acta Crystallographica Section C</h2><h3>Crystal Structure Communications</h3><h3>0108-2701</h3> <h2>research papers (organic compounds)</h2> Volume 42 Part 2 Pages 233-236 February 1986 <h2>5-(2-Undecyloxphenyl)-4,6-dithianonanedioic acid</h2> D. S. Eggleston and C. D. Perchonock Acta Cryst. (1986). C42, 233-236 5-(2-Undeeyloxyphenyl)-4,6-dithianonanedioie Acid BY DRAKE S. EGGLESTON* AND CARL D. PERCHONOCKt Smith Kline & French Laboratories, 1500 Spring Garden Street, PO Box 7929, Philadelphia, PA 19101, USA (Received 17 June 1985; accepted 20 October 1985) Abstract. C24H3805S2, Mr=470.70, triclinic, P1, a = 12.988(4), b-- 19.213 (5), c=5.507(1)/~, t~= 94.80 (2), fl= 97.95 (2), 7= 71.83 (2)°, V= 1291.8,/k3, Z=2, Dm(flotation in aqueous ZnCI2) = 1.20, Dx = 1.210 g cm-3, 2(Mo Ktzl.2) = 0-70926, 0.71354 ,/k, /t = 2-26 cm-l, F(000) = 508, T= 293 K, R = 0.041, wR = 0-051 for 3400 observations. The 5-(2-undecyloxyphenyl)-4,6-dithianonanedioic acid molecule is a member of a novel class of selective leukotriene antagonists. Its molecular structure in the solid state shows a highly extended (all trans) undecane C chain. One of the two carboxylic acid arms of the dithioacetal moiety is extended nearly parallel to the undecane chain while the other projects nearly perpen- dicularly to the remainder of the molecule. Both mercaptopropionate chains are highly extended; however, the fully