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Geometry for CFClBrI (fluorochlorobromoiodomethane) 1A C1

1910171554
InChI=1S/CBrClFI/c2-1(3,4)5 INChIKey=XEGUVFFZWHRVAV-UHFFFAOYSA-N

PBEPBE/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4395 0.4918 0.3531   -0.4428 0.4926 0.3479
F2 0.5287 0.7082 1.6828   -0.5321 0.7235 1.6752
Cl3 0.7199 2.0199 -0.4940   -0.7353 2.0088 -0.5163
Br4 1.8047 -0.8282 -0.1421   -1.7987 -0.8431 -0.1304
I5 -1.5622 -0.2769 -0.0734   1.5641 -0.2662 -0.0721
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 I5
C1 1.3501 1.7695 1.9624 2.1863
F2 1.3501 2.5486 2.7053 2.9029
Cl3 1.7695 2.5486 3.0680 3.2650
Br4 1.9624 2.7053 3.0680 3.4124
I5 2.1863 2.9029 3.2650 3.4124
Maximum atom distance is 3.4124Å between atoms Br4 and I5.
picture of fluorochlorobromoiodomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 Cl3 108.818 F2 C1 Br4 108.081
F2 C1 I5 107.996 Cl3 C1 Br4 110.481
Cl3 C1 I5 110.811 Br4 C1 I5 110.561

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.