Bis[(2,2-dimethyl-propano-yloxy)meth-yl] {[2-(6-amino-9H-purin-9-yl)eth-oxy]meth-yl}phospho-nate-succinic acid (2/1).

ABSTRACT: The title compound, C(20)H(32)N(5)O(8)P·0.5C(4)H(6)O(4), is composed of two 9-{2-[bis-(pivaloyloxymeth-oxy)phosphinylmeth-oxy]eth-yl}adenine, commonly known as adefovir dipivoxil (AD), mol-ecules linked to the carb-oxy-lic acid groups of succinic acid (SA). The asymmetric unit contains one mol-ecule of AD and half a mol-ecule of SA, which sits on an inversion center. Both adenine units in the two AD mol-ecules make AD-SA N-H?O and SA-AD O-H?N hydrogen bonds to SA. In addition, the inter-molecular AD-AD N-H?O-P hydrogen bond serves to stabilize the cocrystal. There is also a ?-? stacking inter-action [inter-planar spacing 3.34?(19)?Å] between adjacent inversion-related adenine groups.

SUBMITTER: Jung S 

PROVIDER: S-EPMC3297872 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other