 | Acta Crystallographica Section E Acta Crystallographica Section E CRYSTALLOGRAPHIC COMMUNICATIONS |
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![[Figure 2]](zl4038fig2mag.jpg)
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Figure 2
(a) Hydrogen-bonding interactions between copies of 3 along the a and b axes. (b) C—O and H—O distances suggestive of a potential C—H⋯O hydrogen bond along the a axis. N—H⋯O distances for the H1B⋯O3 hydrogen bond are included for comparison. (c) Measured distances and electrostatic coloring between H4A, C7, and C8 used to explore a potential C—H⋯π interaction within the ab plane molecular layers. Partial charges were generated within UCSF Chimera (Pettersen et al., 2004  ) using the Amber ff14SB forcefield in Antechamber (Wang et al., 2006) with the semi-empirical AM1 − BCC method and color coded with pink for negative charges and light blue for positive charges. |
![[Figure 2]](zl4038fig2.jpg)
| CRYSTALLOGRAPHIC COMMUNICATIONS |
ISSN: 2056-9890
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