Klis Tomasz, Serwatowski Janusz
Warsaw University of Technology, Faculty of Chemistry, Noakowskiego 3, 00-664, Warsaw, Poland.
Acta Crystallogr Sect E Struct Rep Online. 2008 May 10;64(Pt 6):o1054. doi: 10.1107/S1600536808013482.
In the title compound, C(9)H(14)BNO(4), the carbonyl and boronic acid groups are essentially coplanar with the pyrrole ring and the boronic acid group has an exo-endo conformation. The exo-oriented OH is engaged in an intra-molecular O-H⋯O inter-action, while the endo-oriented one is involved in inter-molecular hydrogen bonding to form centrosymmetric dimers. A supra-molecular assembly is achieved through inter-actions involving the tert-butyl groups, forming infinite chains along the crystallographic b axis. There are, in addition, face-to-face and center-to-edge stacking inter-actions [distance between the pyrrole ring centroid and an N atom from a neighbouring mol-ecule = 3.369 (8) Å].
在标题化合物C₉H₁₄BNO₄中，羰基和硼酸基团与吡咯环基本共面，且硼酸基团具有外-内构象。向外的OH参与分子内O-H⋯O相互作用，而向内的OH参与分子间氢键作用形成中心对称二聚体。通过涉及叔丁基的相互作用实现超分子组装，沿晶体学b轴形成无限链。此外，还存在面对面和中心到边缘的堆积相互作用[吡咯环质心与相邻分子中N原子之间的距离 = 3.369 (8) Å]。
