Ji X H, van der Helm D, Hemming B C, Haymore B L
Department of Chemistry and Biochemistry, University of Oklahoma, Norman 73019.
Acta Crystallogr C. 1992 Jan 15;48 ( Pt 1):109-11. doi: 10.1107/s0108270191007540.
C13H8N2O2, Mr = 224.22, monoclinic, P2(1)/n, a = 18.149 (2), b = 14.2768 (9), c = 3.8191 (3) A, beta = 92.029 (6) degrees, V = 988.95 A3, Z = 4, Dx = 1.51 g cm-3, lambda (Cu K alpha) = 1.54178 A, mu = 7.61 cm-1, F(000) = 464, T = 163 (1) K, R = 0.037 for 1479 data with I greater than or equal to 2 sigma (I). An intramolecular hydrogen bond is observed between the carboxyl hydrogen atom and the nearby nitrogen atom with the N...O distance being 2.67 A.
C₁₃H₈N₂O₂，Mr = 224.22，单斜晶系，P2(1)/n，a = 18.149 (2)，b = 14.2768 (9)，c = 3.8191 (3) Å，β = 92.029 (6)°，V = 988.95 ų，Z = 4，Dx = 1.51 g cm⁻³，λ(Cu Kα) = 1.54178 Å，μ = 7.61 cm⁻¹，F(000) = 464，T = 163 (1) K，对于1479个I≥2σ(I)的数据，R = 0.037。在羧基氢原子与附近氮原子之间观察到分子内氢键，N...O距离为2.67 Å。
