Souza Bruno S, Vitto Ramon, Nome Faruk, Kirby Anthony J, Bortoluzzi Adailton J
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 20;66(Pt 11):o2848. doi: 10.1107/S1600536810040365.
In the title compound, C(13)H(10)O(4), an analog of acetyl-salicylic acid, the naphthalene unit is twisted slightly due to ortho disubstitution [dihedral angle between conjugated rings system in the naphthalene unit = 2.0 (2)°]. The mean planes of the carb-oxy-lic and ester groups are almost coplanar and perpendicular, respectively, to the mean plane of the conjugated aromatic system, making dihedral angles of 8.9 (3) and 89.3 (1)°. In the crystal, mol-ecules are paired through their carb-oxy-lic groups by the typical centrosymmetric O-H⋯O inter-actions with R(2) (2)(8) hydrogen-bond motifs. In addition, several weak C-H⋯O inter-molecular contacts are also observed. Finally, the mol-ecules are stacked along crystallographic [100] and [010] directions.
在标题化合物C₁₃H₁₀O₄（乙酰水杨酸类似物）中，萘单元由于邻位二取代而略有扭曲[萘单元中共轭环系统之间的二面角 = 2.0 (2)°]。羧基和酯基的平均平面分别几乎与共轭芳香体系的平均平面共面和垂直，二面角分别为8.9 (3)°和89.3 (1)°。在晶体中，分子通过其羧基以典型的中心对称O—H⋯O相互作用成对，形成R₂²(8)氢键基序。此外，还观察到几个弱的C—H⋯O分子间接触。最后，分子沿晶体学[100]和[010]方向堆积。
