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Crystal structure of (2-benzyl­oxy­pyrimidin-5-yl)boronic acid

The boronic acid group in the title compound, C(11)H(11)BN(2)O(3), adopts a syn–anti conformation and is almost coplanar with the aromatic rings , making a dihedralangle of 3.8 (2)°. In the crystal, adjacent mol­ecules are linked via pairs of O—H⋯O inter­actions, forming centrosymmetric dimers with...

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Detalles Bibliográficos
Autores principales: Durka, Krzysztof, Kliś, Tomasz, Serwatowski, Janusz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257459/
https://www.ncbi.nlm.nih.gov/pubmed/25553032
http://dx.doi.org/10.1107/S1600536814024519
Descripción
Sumario:The boronic acid group in the title compound, C(11)H(11)BN(2)O(3), adopts a syn–anti conformation and is almost coplanar with the aromatic rings , making a dihedralangle of 3.8 (2)°. In the crystal, adjacent mol­ecules are linked via pairs of O—H⋯O inter­actions, forming centrosymmetric dimers with an R (2) (2)(8) motif, which have recently been shown to be energetically very favorable (Durka et al., 2012 ▶, 2014 ▶). The hy­droxy groups in an anti conformation are engaged in lateral hydrogen-bonding inter­actions with N atoms from neighbouring mol­ecules, leading to the formation of chains along [001]. O⋯B [3.136 (2) Å] and C(π)⋯B [3.393 (2) Å] stacking inter­actions in turn link parallel chains of centrosymmetric dimers into layers parallel to (010).