Abstract

<h2>Acta Crystallographica Section C</h2><h3>Crystal Structure Communications</h3><h3>0108-2701</h3> <h2>research papers (organic compounds)</h2> Volume 44 Part 11 Pages 2002-2004 November 1988 <h2>Structure of 1-mesitylsulfonyl-4-nitroimidazole</h2> Z. Taira and J. Uchi Acta Cryst. (1988). C44, 2002-2004 Structure of l-Mesitylsulfonyl-4-nitroimidazole • BY ZENEI TAIRA AND JUNKOU UcnI Faculty of Pharmaceutical Sciences, Tokushima Bunri University, Yamashiro-cho, Tokushima 770, Japan (Received 1 February 1988; accepted 8 June 1988) Abstract. CI2HI3N304S, M,=295.31, triclinic, Pi, a= 15.841 (6), b= 10.774 (5), c= 4.782 (1)A, a= 99.26 (3), fl= 79.43 (3), y= 59.62 (3)°, V= 660.4 (5) A3, z = 2, Dx = 1.485 Mg m-3, 2(Mo Kct) = 0.71069 A, g(Mo Ks) = 0.2634 mm-I, F(000) = 308, room temperature, final R =0.034 for 2174 unique observed reflections. The molecule, except for the nitro group, has a geometry which is nearly symmetrical with respect to the plane through the atoms C(3)-S(1)-N(13); the dihedral angle between the least-squares planes of the benzene and imidazole rings is 100.8°. The benzene ring and the sulfonyl group are strained as a result of steric hindrance. 0108-2701/88/112002-03503.00 Introduction. The present study is part of a series of structural studies on compounds available for the synthesis of oligodeoxyribonucleotides by the phos- photriester approach (Itakura,