STRUCTURE OF 5-BENZOYL-1-METHYL-4-PHENYLPYRIMIDINE-2-THIONE

Abstract

(I) C18H14N2SO, M(r) = 306.4, monoclinic, P2(1)/n, a = 9.724 (4), b = 15.991 (3), c = 10.408 (3) angstrom, beta = 106.18 (3)degrees, V = 1554 angstrom 3, Z = 4, D(x) = 1.309 g cm-3, lambda(Cu K-alpha) = 1.5418 angstrom, mu = 18.2 cm-1, F(000) = 640, T = 293 K, final R = 0.053, wR = 0.042, for 2735 unique reflections. In the pyrimidine ring, the S-C(1) bond distance of 1.656 (3) angstrom is longer than 1.61 angstrom, the distance expected for an S-C double bond [Pauling (1963). The Nature of the Chemical Bond, 3rd edition. New York: Cornell Univ. Press]. The bond lengths of N(2)-C(1) and N(6)-C(1) are 1.385 (4) and 1.378 (4) angstrom respectively. The distance between N(2) and C(2), which is the C atom of methyl group, is longer than the N-C distances mentioned above, 1.482 (4) angstrom.