view article

Figure 11
(a) Chemical diagrams for the conformational polymorphs of (VIII) – the triclinic form comprises one of each conformation while the monoclinic form displays only the conformation shown on the right-hand side. A comparison of the energy frameworks composed of (b) electrostatic potential force, (c) dispersion force and (d) total energy for the triclinic and monoclinic polymorphs. The energy frameworks were adjusted to the same scale factor of 80 with a cut-off value of 9 kJ mol−1 within 4 × 4 × 4 unit cells.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds