Figure 2
(a) The molecular structure of (I) with some selected bond lengths (Å; s.u.'s = 0.002 Å) at 295 K. Displacement ellipsoids are shown at the 50% probability level. Pink spheres are the centroids for the two six-membered rings, and the dashed green lines defines the torsion angle discussed in the text. (b) View along the centroid–centroid vector showing the torsion angle from (a) and two neighbouring molecules A and B at (−x + 1, −y + 2, −z + 1) and (x − 1, y, z), respectively. (c) As in (b), but rotated ca 27° around the vertical axis to display two short intermolecular interactions involving the nitrophenyl substituent; H2′⋯O1(−x + 1, −y + 2, −z + 1) is 2.53 Å, while H3′⋯C4A(x − 1, y, z) is 2.72 Å. |