The crystal structure of anthraquinone-2-carboxylic acid has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Anthraquinone-2-carboxylic acid crystallizes in space group P-1 (#2) with a = 3.7942(2), b = 13.266(5), c = 22.835(15) Å, α = 73.355(30), β = 89.486(6), γ = 86.061(1)°, V = 1098.50(7) Å3, and Z = 4. The crystal structure contains two independent molecules of anthraquinone-2-carboxylic acid. Although the expected hydrogen-bonded dimers are present, the dimers are not centrosymmetric. The dimer contains one molecule of each planar low-energy conformation. The crystal structure consists of a herringbone array of centrosymmetric pairs of molecules parallel to the bc-plane. The molecules stack along the short a-axis. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).

利用同步加速器X射线粉末衍射数据解析和精炼了蒽醌-2-羧酸的晶体结构，并利用密度泛函理论技术进行了优化。蒽醌-2-甲酸在空间群P -1 (#2) 中结晶， a = 3.7942(2), b = 13.266(5), c = 22.835(15) Å, α = 73.355(30), β = 89.486 (6)，γ = 86.061(1)°，V = 1098.50(7) Å 3，Z = 4。晶体结构包含两个独立的蒽醌-2-羧酸分子。尽管存在预期的氢键二聚体，但二聚体不是中心对称的。二聚体包含每个平面低能构象的一个分子。晶体结构由平行于bc平面的中心对称分子对的人字形阵列组成。分子沿短a轴堆叠。粉末图案已提交给 ICDD® 以包含在粉末衍射文件™ (PDF®) 中。