Crystal structure and Hirshfeld surface analysis of (E)-3-benzylidene-4-oxopentanoic acid.

Autor: Assila, Hamza, Zaoui, Younes, El Hassani, Issam Ameziane, El Ghammarti, Samira, Mague, Joel T., Taoufik, Jamal, Ramli, Youssef, Ansar, Mhammed
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Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Jun2022, Vol. 78 Issue 6, p563-567, 11p
Abstrakt: The asymmetric unit of the title molecule, C12H12O3, contains two independent molecules having opposite conformations and each forming self-dimers through complementary O--H...O hydrogen bonds. These dimers are linked by weak C--H...π interactions 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 intermolecular interactions is included. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index