Halogen Bonding with Dihalogens and Interhalogens - Halogen Bonding: Fundamentals and Applications - page 70

Table 1 Geometric parameters for halogen bonded complexes with nitrogen and oxygen electron donors

X a (A) a X a -Y (A) X a -Y ( ◦ )M e REFCODE Compound name B d ··· B d ···

N I-I

CHXADI10

···

9-Cyclohexyladenine diiodine 2.520 2.764 177.14 A

GAWXEH N -Iodine-2,3-diazabicyclo(2.2.2)oct-2-ene 2.431 2.807 175.49 A

HMCPZI Hexamethylcyclotriphosphazene diiodine 2.418 2.823 177.80 A

HXMIOD Hexamethylenetetramine bis(diiodine) 2.497 2.791 173.92 A

2.498 2.771 173.85

2,3-Bis(2 -pyridyl)quinoxaline diiodine NULBEB 2.530 2.759 173.80 A

NULBIF 4-Cyanopyridine diiodine 2.543 2.745 175.47 A

2.554 2.750 175.50

4,4 -Dipyridyl bis(diiodine)

NULBOL 2.407 2.796 177.83 A

2,3,5,6-Tetrakis(2 -pyridyl)pyrazine bis(diiodine) NULCEC 2.563 2.750 173.02 A

PICOLI 4-Picoline diiodine 2.322 2.823 175.51 A

QIHBOY 1,2-Bis(4-pyridyl)ethylene bis(diiodine) 2.422 2.802 178.78 A

TMEAMI Trimethylamine diiodine 2.271 2.830 178.33 A

WEKGIC (Triphenylphosphonio(trimethylsilyl)imino)diiodine 2.432 2.833 178.93 A

1,3,5,7-Tetraazatricyclo(3.3.1.1 3,7 )decane tris(diiodide)

YUYNUB 2.593 2.746 177.58 A

HMTNTI Hexamethylenetetramine tri-iodo-nitrogen diiodine 2.475 2.808 175.41 B

3.247 178.10

B

HXMTDI Hexamethylenetetramine diiodine 2.439 2.830 173.07

3.482 179.75

NULBUR Quinoxaline diiodine 2.949 2.724 178.77 B

2.918 175.77

PHNAZI01 Phenazine diiodine 2.986 2.726 180.00 B

3.099 180.00

QARGUL Bis(9-chloroacridine) diiodine 2.981 2.741 178.75 B