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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 CHNH2 (aminomethylene)
1A' CS
1910171554
InChI=1S/CH3N/c1-2/h1H,2H2 INChIKey=
HF/CEP-121G
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.0624 |
0.7994 |
0.0000 |
|
0.8018 |
-0.0065 |
0.0000 |
| N2 |
0.0624 |
-0.5401 |
0.0000 |
|
-0.5327 |
0.1086 |
0.0000 |
| H3 |
-0.9943 |
1.1267 |
0.0000 |
|
1.0371 |
-1.0874 |
0.0000 |
| H4 |
-0.7510 |
-1.1221 |
0.0000 |
|
-1.1825 |
-0.6519 |
0.0000 |
| H5 |
0.9341 |
-1.0204 |
0.0000 |
|
-0.9364 |
1.0183 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
N2 |
H3 |
H4 |
H5 |
| C1 |
|
1.3395 |
1.1062 |
2.0866 |
2.0178 |
| N2 |
1.3395 |
| 1.9735 |
1.0002 |
0.9953 |
| H3 |
1.1062 |
1.9735 |
| 2.2619 |
2.8859 |
| H4 |
2.0866 |
1.0002 |
2.2619 |
| 1.6882 |
| H5 |
2.0178 |
0.9953 |
2.8859 |
1.6882 |
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Maximum atom distance is 2.8859Å
between atoms H3 and H5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C1 |
N2 |
H4 |
125.585 |
|
C1 |
N2 |
H5 |
118.856 |
|
N2 |
C1 |
H3 |
107.209 |
|
H4 |
N2 |
H5 |
115.559 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.