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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

mPW1PW91/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0382 0.8679 0.0000   -0.0626 0.8656 -0.0382
H2 0.8940 1.2663 0.0000   -0.0913 1.2630 0.8940
C3 -0.0382 -0.3933 0.7388   0.7652 -0.3391 -0.0382
C4 -0.0382 -0.3933 -0.7388   -0.7085 -0.4456 -0.0382
H5 -0.9538 -0.6051 1.2815   1.3218 -0.5112 -0.9538
H6 0.8699 -0.7056 1.2460   1.2936 -0.6139 0.8699
H7 -0.9538 -0.6051 -1.2815   -1.2345 -0.6959 -0.9538
H8 0.8699 -0.7056 -1.2460   -1.1919 -0.7936 0.8699
Atom - Atom Distances (Å)
  N1 H2 C3 C4 H5 H6 H7 H8
N1 1.0138 1.4617 1.4617 2.1564 2.2030 2.1564 2.2030
H2 1.0138 2.0419 2.0419 2.9255 2.3327 2.9255 2.3327
C3 1.4617 2.0419 1.4775 1.0852 1.0860 2.2281 2.2049
C4 1.4617 2.0419 1.4775 2.2281 2.2049 1.0852 1.0860
H5 2.1564 2.9255 1.0852 2.2281 1.8268 2.5629 3.1184
H6 2.2030 2.3327 1.0860 2.2049 1.8268 3.1184 2.4921
H7 2.1564 2.9255 2.2281 1.0852 2.5629 3.1184 1.8268
H8 2.2030 2.3327 2.2049 1.0860 3.1184 2.4921 1.8268
Maximum atom distance is 3.1184Å 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 59.641 N1 C4 C3 59.641
C3 N1 C4 60.718
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 114.907 N1 C3 H6 118.957
N1 C4 H7 114.907 N1 C4 H8 118.957
H2 N1 C3 109.824 H2 N1 C4 109.824
C3 C4 H7 120.007 C3 C4 H8 117.846
C4 C3 H5 120.007 C4 C3 H6 117.846
H5 C3 H6 114.567 H7 C4 H8 114.567

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