view article

Figure 6
Different views of the Hirshfeld surfaces for the constituents of (I)[link] mapped over the electrostatic potential (the red and blue regions represent negative and positive electrostatic potentials, respectively) for the (a) water-O1W mol­ecule [in the range −0.1001 to +0.1943 atomic units (a.u.)], (b) water-O2W mol­ecule (−0.1013 to +0.1751 a.u.) and (c) complex mol­ecule (−0.1209 to +0.2076 a.u.). The hydrogen bonds involving water mol­ecules in (c) are indicated by green dashed lines.

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