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Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)eth-oxy] methyl}phosphonate-succinic acid (2/1)
- Issue Date
- 2012
- Keywords
- data-to-parameter ratio = 17.3; mean σ(C-C) = 0.004 Å; R factor = 0.046; single-crystal X-ray study; T = 296 K; wR factor = 0.143
- Citation
- Acta Crystallographica Section E: Structure Reports Online, v.68, no.3, pp.o809 - o810
- Volume
- 68
- Number
- 3
- Start Page
- o809
- End Page
- o810
- ISSN
- 1600-5368
- Abstract
- The title compound, C 20H 32N 5O 8P·0.5C 4H 6O 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 π-π stacking inter-action [inter-planar spacing 3.34 (19) Å] between adjacent inversion-related adenine groups.
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Related Researcher
- KIM, IL WON
- College of Engineering (Department of Chemical Engineering)