Figure 1
Crystal structure of 1. A) Crystal structure of 1. Crystal Data., monoclinic, a = 12.3792(14) Å, b = 11.5396(7) Å, c = 16.980(2) Å, β = 102.354(12)°, V = 2369.4(4) Å3, T = 298 K, space group P21/n (no. 14), Z = 1, μ(N/A) = N/A, 7498 reflections measured, 4233 unique (Rint = 0.1007) which were used in all calculations. The final wR2 was 0.200383 (all data) and R1 was 0.116317 (I > 2u(I)). B) Labelled diagram for NMR assignment of 1.