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

The asymmetric unit of the title mol­ecule, C(12)H(12)O(3), 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...

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Detalles Bibliográficos
Autores principales: Assila, Hamza, Zaoui, Younes, Ameziane El Hassani, Issam, El Ghammarti, Samira, Mague, Joel T., Taoufik, Jamal, Ramli, Youssef, Ansar, Mhammed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431796/
https://www.ncbi.nlm.nih.gov/pubmed/36072148
http://dx.doi.org/10.1107/S2056989022004789
Descripción
Sumario:The asymmetric unit of the title mol­ecule, C(12)H(12)O(3), 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.

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