Synthesis, crystal structure and Hirshfeld surface analysis of (E)-benzo[d][1,3]dioxole-5-carbaldehyde oxime.

ABSTRACT: The asymmetric unit of the title mol-ecule, C₈H₇NO₃, consists of two mol-ecules differing slightly in conformation and in their inter-molecular inter-actions in the solid. The dihedral angle between the benzene and dioxolane rings is 0.20 (7)° in one mol-ecule and 0.31 (7)° in the other. In the crystal, the two mol-ecules are linked into dimers through pairwise O-H⋯N hydrogen bonds, with these units being formed into stacks by two different sets of aromatic π-stacking inter-actions. The stacks are connected by C-H⋯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are H⋯O/O⋯H (36.7%), H⋯H (32.2%) and C⋯H/H⋯C (12.7%).

SUBMITTER: Radhakrishnan R 

PROVIDER: S-EPMC10242747 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature