Maverick E, Chiefari J, Lightner D A
Department of Chemistry and Biochemistry, J. D. McCullough X-ray Crystallography Laboratory, University of California, Los Angeles 90024.
Acta Crystallogr C. 1993 Feb 15;49 ( Pt 2):338-40. doi: 10.1107/s0108270192005675.
C11H11NO3, M(r) = 205.21, triclinic, P1, a = 5.725 (1), b = 9.038 (1), c = 10.401 (2) A, alpha = 101.37 (1), beta = 102.63 (1), gamma = 102.83 (1) degrees, V = 494.7 (3) A3, Z = 2, Dx = 1.38 g cm-3, lambda (Mo K alpha) = 1.7107 A, mu = 0.62 cm-1, F(000) = 216, T = 145 K, R = 0.049, wR = 0.063 for 2386 unique observed reflections. The molecules, which are self-associating in solution, are arranged in the crystal in centrosymmetric dimers joined by N--H...O bonds between the amide functional groups. Analysis of displacement parameters indicates that the furanyl and pyridone groups are independently quite rigid, with the furanyl group librating with respect to the hydrogen-bonded pyridone.
C₁₁H₁₁NO₃，M(r)=205.21，三斜晶系，P1，a = 5.725(1)，b = 9.038(1)，c = 10.401(2) Å，α = 101.37(1)，β = 102.63(1)，γ = 102.83(1)°，V = 494.7(3) ų，Z = 2，Dx = 1.38 g cm⁻³，λ(Mo Kα)= 1.7107 Å，μ = 0.62 cm⁻¹，F(000)= 216，T = 145 K，对于2386个独立观测反射，R = 0.049，wR = 0.063。分子在溶液中会自缔合，在晶体中通过酰胺官能团之间的N - H...O键排列成中心对称的二聚体。位移参数分析表明，呋喃基和吡啶酮基团各自相当刚性，呋喃基相对于氢键连接的吡啶酮基团发生摆动。
