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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for BrCN (Cyanogen bromide)
1Σ C*V
1910171554
InChI=1S/CBrN/c2-1-3 INChIKey=ATDGTVJJHBUTRL-UHFFFAOYSA-N
MP4/cc-pVDZ
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.0000 |
0.0000 |
-1.1474 |
N2 |
0.0000 |
0.0000 |
-2.3373 |
Br3 |
0.0000 |
0.0000 |
0.6641 |
Atom - Atom Distances (Å)
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C1 |
N2 |
Br3 |
C1 |
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1.1899 |
1.8115 |
N2 |
1.1899 |
| 3.0014 |
Br3 |
1.8115 |
3.0014 |
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Maximum atom distance is 3.0014Å
between atoms N2 and Br3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
N2 |
C1 |
Br3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.