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Geometry for C2H5N (Aziridine) 1A' C1

1910171554
InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2 INChIKey=NOWKCMXCCJGMRR-UHFFFAOYSA-N

B3PW91/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0382 0.8693 0.0000   -0.0623 0.8671 -0.0382
H2 0.8925 1.2754 0.0000   -0.0914 1.2721 0.8925
C3 -0.0382 -0.3948 0.7401   0.7664 -0.3407 -0.0382
C4 -0.0382 -0.3948 -0.7401   -0.7099 -0.4468 -0.0382
H5 -0.9544 -0.6046 1.2838   1.3238 -0.5111 -0.9544
H6 0.8711 -0.7070 1.2484   1.2959 -0.6158 0.8711
H7 -0.9544 -0.6046 -1.2838   -1.2372 -0.6950 -0.9544
H8 0.8711 -0.7070 -1.2484   -1.1946 -0.7946 0.8711
Atom - Atom Distances (Å)
  N1 H2 C3 C4 H5 H6 H7 H8
N1 1.0155 1.4648 1.4648 2.1587 2.2069 2.1587 2.2069
H2 1.0155 2.0502 2.0502 2.9315 2.3429 2.9315 2.3429
C3 1.4648 2.0502 1.4801 1.0858 1.0876 2.2315 2.2087
C4 1.4648 2.0502 1.4801 2.2315 2.2087 1.0858 1.0876
H5 2.1587 2.9315 1.0858 2.2315 1.8287 2.5676 3.1233
H6 2.2069 2.3429 1.0876 2.2087 1.8287 3.1233 2.4968
H7 2.1587 2.9315 2.2315 1.0858 2.5676 3.1233 1.8287
H8 2.2069 2.3429 2.2087 1.0876 3.1233 2.4968 1.8287
Maximum atom distance is 3.1233Å between atoms H5 and H8.
picture of Aziridine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 C4 59.653 N1 C4 C3 59.653
C3 N1 C4 60.694
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 114.820 N1 C3 H6 118.942
N1 C4 H7 114.820 N1 C4 H8 118.942
H2 N1 C3 110.189 H2 N1 C4 110.189
C3 C4 H7 120.051 C3 C4 H8 117.867
C4 C3 H5 120.051 C4 C3 H6 117.867
H5 C3 H6 114.577 H7 C4 H8 114.577

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