Synthesis, crystal structure and Hirshfeld surface analysis of (E)-benzo[d][1,3]dioxole-5-carbaldehyde oxime.
Acta Crystallogr E Crystallogr Commun
; 79(Pt 6): 545-548, 2023 May 01.
Article
em En
| MEDLINE
| ID: mdl-37288465
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 0.20â
(7)° in one mol-ecule and 0.31â
(7)° in the other. In the crystal, the two mol-ecules are linked into dimers through pairwise O-Hâ¯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-Hâ¯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are Hâ¯O/Oâ¯H (36.7%), Hâ¯H (32.2%) and Câ¯H/Hâ¯C (12.7%).
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MEDLINE
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En
Ano de publicação:
2023
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Article