Figure 3
The structure of (I) at 100 K [data set (Ic)]. The molecule at (x, y, z) is shown on the right, including the minor-occupancy molecule refined as a rigid body (atoms O1A–C11A, with isotropic Uij). Its hydrogen-bonded partner at (−x, −y, −z + 1) (denoted ii) is shown on the left (major-occupancy atoms only). Hirshfeld test for N1—C2 = 0.0035 Å2 (Hirshfeld, 1976). The O1⋯N1ii (O1ii⋯N1) distance is 2.8403 (17) Å. Note that atoms C3 and C3A are at nearly the same position in the two orientations. H atoms for the minor-occupancy molecule have been omitted (except for H1NA). |