CRYSTAL-STRUCTURE AND IR-SPECTRUM OF S(4-TOLUENE-SULFONAMIDO)-2,4,7-TRINITRONAPHTHALENE

s(4-toluenesulphonamido)-2,4,7-trinitronaphthalene (TSATrNN), C24II18N 5O10S2, forms monoclinic crystals, space group P2(1)/c, with a=12.95(2 ), b=17.36(2), c=12.30(2) Angstrom, beta=109.93(14)degrees and Z=4. A positional disorder of the molecules exists in the crystal. Two orient ations, obtained by 180 degrees rotation around the C(5a)-C(8a) naphth alene bond occupy the same crystal position. The molecular structure i s dominated by the strain similar to 1,8-bis(dimethylamino)-naphthalen e (DMAN); amide nitrogen atoms are 0.364(5) and 0.214(5) Angstrom out of the nonplanar naphthalene skeleton and separation between them is 2 .770(5) Angstrom. Planar 1,8-amide groups are nearly perpendicular to the naphthalene plane and the 2,4,7-nitro groups are twisted by ca. 40 degrees. the molecules are linked into the cyclic centrosymmetric dim ers by intermolecular N-H ... O hydrogen bonds. The amide groups form weak bifurcated intra- and intermolecular hydrogen bonds length 2.808( 6), 3.172(9), 3.000(4) and 2.813(7) Angstrom for N(1)-H(1)... O(32), N (1)-H(1)... O(52), N(2)-H(2)... O(2) and N(2)-II(2)... O(41), respecti vely. Ir spectrum indicates the nonequivalency of two N-II group.