PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
li(i)n3i (jeprur) r
5842 Li(I)N3I (JEPRUR) (Geo)
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Jmol._Canvas2D (Jmol) "jmolApplet0"
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Species
Formula
5832
Iodobenzene
C6H5I
5833
Iodocyclohexane
C6H11I
5834
Benzyl iodide
C7H7I
5835
m-Iodotoluene
C7H7I
5836
o-Iodotoluene
C7H7I
5837
ortho Iodotoluene
C7H7I
5838
p-Iodotoluene
C7H7I
5839
1-Iodonaphthalene
C10H7I
5840
2-Iodonaphthalene
C10H7I
5841
Cyanogen iodide
CNI
5842
Li(I)N3I (JEPRUR) (Geo)
H15LiC15N3I
5843
Li(I)N3I (JEPRUR)
H15LiC15N3I
5844
Iodine oxide
OI
5845
Acetyl iodide
C2H3OI
5846
Iodomethyl methyl ether
C2H5OI
5847
1-Iodo-2-propanone
C3H5OI
5848
3-Iodo-2-butanone
C4H7OI
5849
Benzoyl iodide
C7H5OI
5850
Nitrosyl iodide
NOI
5851
2-Iodobenzoic acid
C7H5O2I
5852
3-Iodobenzoic acid
C7H5O2I
REF:
The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
For X-Ray structure, contact the CCDC:
http://www.ccdc.cam.ac.uk/