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Title: π-Complexation and C—H hydrogen bonding in the formation of colored cocrystals
The present study evaluates the potential combination of charge-transfer electron-donor–acceptor π–π complexation and C—H hydrogen bonding to form colored cocrystals. The crystal structures of the red 1:1 cocrystals formed from the isomeric pyridines 4- and 3-{2-[4-(dimethylamino)phenyl]ethynyl}pyridine with 1-[2-(3,5-dinitrophenyl)ethynyl]-2,3,5,6-tetrafluorobenzene, both C 14 H 4 F 4 N 2 O 4 ·C 15 H 14 N 2 , are reported. Intermolecular interaction energy calculations confirm that π-stacking interactions dominate the intermolecular interactions within each crystal structure. The close contacts revealed by Hirshfeld surface calculations are predominantly C—H interactions with N, O, and F atoms.  more » « less
Award ID(s):
2117129 1903593 1903581
NSF-PAR ID:
10433049
Author(s) / Creator(s):
; ;
Date Published:
Journal Name:
Acta Crystallographica Section C Structural Chemistry
Volume:
79
Issue:
4
ISSN:
2053-2296
Page Range / eLocation ID:
149 to 157
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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