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Geometry for BrONO2 (Bromine nitrate) 1A' CS

1910171554
InChI=1S/BrNO3/c1-5-2(3)4 INChIKey=RRTWEEAEXPZMPY-UHFFFAOYSA-N

B2PLYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 -1.1530 -0.4876 0.0000   1.2518 0.0063 0.0000
O2 0.0000 0.9077 0.0000   -0.3493 -0.8378 0.0000
N3 1.4322 0.4931 0.0000   -1.5116 0.0960 0.0000
O4 2.1202 1.4726 0.0000   -2.5236 -0.5433 0.0000
O5 1.6711 -0.6786 0.0000   -1.2813 1.2695 0.0000
Atom - Atom Distances (Å)
  Br1 O2 N3 O4 O5
Br1 1.8100 2.7649 3.8152 2.8306
O2 1.8100 1.4910 2.1941 2.3042
N3 2.7649 1.4910 1.1970 1.1958
O4 3.8152 2.1941 1.1970 2.1976
O5 2.8306 2.3042 1.1958 2.1976
Maximum atom distance is 3.8152Å between atoms Br1 and O4.
picture of Bromine nitrate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br1 O2 N3 113.423 O2 N3 O4 108.935
O2 N3 O5 117.674 O4 N3 O5 133.391

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