Crystal and molecular structure of N,N′‐[bis(tosylmethyl)]urea. Conformational preferences and non‐bonded interactions

Abstract

Abstract. The room temperature crystal and molecular structure of the title compound have been determined by direct methods from diffractometer data. Crystals are monoclinic, a = 12.809(2). b = 9.182(7), c = 17.719(6) A, / 3 = 116.09(2)0, space group P2,/c, Z = 4. The structure was refined by anisotropic least-squares to R = 0.099 for 1944 independent reflections. The molecule resides in a conformation in which the tosyl rings face each other, so that there roughly is a mirror plane through the C-0 bond and perpendicular to the N-CO-N plane. Each carbonyl oxygen atom is hydrogen bonded to both nitrogen-hydrogen atoms of a neighbouring