Abdel-Aziz Hatem A, Bari Ahmed, Ng Seik Weng
Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 23;67(Pt 3):o696. doi: 10.1107/S1600536811005897.
In the title compound, C(11)H(9)BrO(3), the benzofuran fused-ring system is almost planar, with a maximum atomic deviation of 0.024 (5) Å; the carboxyl -CO(2) fragment is aligned at 4.8 (7)° with respect to the fused-ring plane. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. π-π stacking is also observed between parallel mol-ecules, the centroid-centroid distance between benzene and furan rings of adjacent mol-ecules being 3.662 (3) Å.
在标题化合物C₁₁H₉BrO₃中,苯并呋喃稠环体系几乎是平面的,最大原子偏差为0.024 (5) Å;羧基-CO₂片段相对于稠环平面的夹角为4.8 (7)°。晶体结构中存在弱的分子间C-H⋯O氢键。在平行分子之间也观察到π-π堆积,相邻分子的苯环和呋喃环之间的质心距离为3.662 (3) Å。