Figure 4
The unit cell of compound 1 viewed down the crystallographic b axis after rotating by 135° about the vertical axis, showing molecules A (green), B (blue) and C (red) with selected atom labels of close contacts as defined automatically within the limits of van der Waals radius −0.05 to 0.30 Å, within the crystal lattice, and an enlarged inset with details of the linear and orthogonal contacts involving C9B—H9B and C2C—H2CB with additional enforced distance measurements to C2C indicated. Note that the C9C—H9C⋯O2A contact was not detected under the conditions set for close contacts. |