Crystal structure of (2-benzyl-oxy-pyrimidin-5-yl)boronic acid.

ABSTRACT: The boronic acid group in the title compound, C11H11BN2O3, adopts a syn-anti conformation and is almost coplanar with the aromatic rings , making a dihedralangle of 3.8?(2)°. In the crystal, adjacent mol-ecules are linked via pairs of O-H?O inter-actions, 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 hy-droxy groups in an anti conformation are engaged in lateral hydrogen-bonding inter-actions with N atoms from neighbouring mol-ecules, leading to the formation of chains along [001]. O?B [3.136?(2)?Å] and C(?)?B [3.393?(2)?Å] stacking inter-actions in turn link parallel chains of centrosymmetric dimers into layers parallel to (010).

SUBMITTER: Durka K 

PROVIDER: S-EPMC4257459 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature