Abstract
Abstract The isomer of the title compound chosen for determination of its crystal and molecular structure by x-ray means has been found to possess an axial mustard group and an equatorial phosphoryl oxygen. This contrasts the phosphorus stereochemistry in cyclophosphamide in which these groups are interchanged. As a consequence of forcing the mustard group into the axial position in the title compound, the C2N plane of this moiety is positioned such that neither of the pendant ClCH2CH2 groups are under the ring. The rotomeric conformation of this group differs from that in cyclophosphamide wherein the mustard C2N plane is perpendicular to the OPN plane in the ring.
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