T. Yoon, W. Shin
Dec 15, 1996
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Journal
Acta Crystallographica Section C-crystal Structure Communications
Abstract
Diphenylmethyl 3, 3 - dimethyl- 7- oxo- 6- phenoxyacetamido-4-thia- 1 -azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide monohydrate, C29H28N206S.H20, assumes an S configuration, with the penam moiety (1-azabicyclo[3.2.0]heptane-7-one) in the open conformation. The conformation of the penam moiety including the 3crcarboxyl and the 6/3-acetamido groups is very similar to that of penicillin V benzyl ester sulfoxide [Shin, Kim & Kim (1992). Acta Cryst. C48, 1449-1451], but the orientations of the terminal phenyl groups at the 6/3-position with respect to the central penam moiety are different in the two compounds. The acetamido N9 atom forms an intramolecular three-centred hydrogen bond with the sulfoxide O1 and phenoxy O13 atoms