Ontology highlight
ABSTRACT:
SUBMITTER: Mthembu ST
PROVIDER: S-EPMC3414934 | biostudies-literature | 2012 Aug
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20120718 Pt 8
The title compound, C(14)H(16)N(2)O(3), is an NH-vinyl-ogous amide (enaminone) produced by the reaction of 4-nitro-phenacyl bromide with azepane-2-thione. The conformation about the C=C bond [1.3927 (14) Å] is Z, which allows for the formation of an intra-molecular N-H⋯O hydrogen bond that leads to an S(6) loop. Inversion-related mol-ecules associate via N-H⋯O hydrogen bonds to form a 12-membered {⋯OC(3)NH}(2) synthon. ...[more]