Crystal structure and Hirshfeld surface analysis of (E)-3-benzyl-idene-4-oxo-penta-noic acid.

ABSTRACT: The asymmetric unit of the title mol-ecule, C₁₂H₁₂O₃, contains two independent mol-ecules having opposite conformations and each forming self-dimers through complementary O-H⋯O hydrogen bonds. These dimers are linked by weak C-H⋯π inter-actions and C-H⋯O hydrogen bonds into a three-dimensional structure in which one can discern layers parallel to the bc plane. A Hirshfeld surface analysis of the inter-molecular inter-actions is included.

SUBMITTER: Assila H 

PROVIDER: S-EPMC9431796 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature