 | Acta Crystallographica Section E Acta Crystallographica Section E CRYSTALLOGRAPHIC COMMUNICATIONS |
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![[Figure 4]](tx2030fig4mag.jpg)
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Figure 4
Electrostatic potentials at the wB97XD/6–311++G(d,p) level of theory for m′CNpCH3 (left) and m′BrpCH3 (middle and right). The range for all three plots is from −1.0 eV (red) to +1.0 eV (blue); electrostatic potential maps were plotted on the 0.0004 SCF density surface. Single point energy calculations were performed on the geometric coordinates of the asymmetric unit (Frisch et al., 2009  ). |
![[Figure 4]](tx2030fig4.jpg)
| CRYSTALLOGRAPHIC COMMUNICATIONS |
ISSN: 2056-9890
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