Ontology highlight
ABSTRACT:
SUBMITTER: Cuffini S
PROVIDER: S-EPMC2971961 | biostudies-literature | 2009 Nov
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20091121 Pt 12
Two independent mol-ecules comprise the crystallographic asymmetric unit in the title anti-retroviral agent Efavirenz, C(14)H(9)ClF(3)NO(2), and these have noteworthy differences in conformation. The major difference relates to the orientation of the 2-cyclo-propyl-ethynyl residue relative to the six-membered heterocycle: this approaches an orthogonal disposition in mol-ecule a compared to a more flattened conformation in mol-ecule b, the difference being reflected in the O(ring)-C-C-C(ethyne) t ...[more]