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Crystal structures of methyl 3,5-di­methyl­benzoate, 3,5-bis­(bromo­meth­yl)phenyl acetate and 5-hy­droxy­benzene-1,3-dicarbaldehyde

The crystal structures of the title compounds, methyl 3,5-di­methyl­benzoate (C(10)H(12)O(2); 1), 3,5-bis­(bromo­meth­yl)phenyl acetate (C(10)H(10)Br(2)O(2); 2) and 5-hy­droxy­benzene-1,3-dicarbaldehyde (C(8)H(6)O(3); 3) were determined by single-crystal X-ray analysis. The crystals of 1 are compose...

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Detalles Bibliográficos
Autores principales: Ebersbach, Ben, Seichter, Wilhelm, Mazik, Monika
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9260362/
https://www.ncbi.nlm.nih.gov/pubmed/35855362
http://dx.doi.org/10.1107/S2056989022005643
Descripción
Sumario:The crystal structures of the title compounds, methyl 3,5-di­methyl­benzoate (C(10)H(12)O(2); 1), 3,5-bis­(bromo­meth­yl)phenyl acetate (C(10)H(10)Br(2)O(2); 2) and 5-hy­droxy­benzene-1,3-dicarbaldehyde (C(8)H(6)O(3); 3) were determined by single-crystal X-ray analysis. The crystals of 1 are composed of strands of C—H⋯O=C bonded mol­ecules, which are further arranged into layers. As a result of the presence of two bromo­methyl substituents in compound 2, mol­ecular dimers formed by crystallographically non-equivalent mol­ecules are connected to structurally different two-dimensional aggregates in which the bromine atoms participate in Br⋯Br bonds of type I and type II. In the case of compound 3, which possesses three donor/acceptor substituents, the mol­ecular association in the crystal creates a close three-dimensional network comprising C(ar­yl)—H⋯O(hy­droxy), C(form­yl)—H⋯O(form­yl) and O—H⋯O(form­yl) bonds.