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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

TPSSh/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0380 0.8683 0.0000   -0.0614 0.8662 -0.0380
H2 0.8841 1.2904 0.0000   -0.0912 1.2872 0.8841
C3 -0.0380 -0.3943 0.7393   0.7653 -0.3411 -0.0380
C4 -0.0380 -0.3943 -0.7393   -0.7095 -0.4456 -0.0380
H5 -0.9514 -0.6059 1.2836   1.3232 -0.5137 -0.9514
H6 0.8702 -0.7125 1.2410   1.2882 -0.6230 0.8702
H7 -0.9514 -0.6059 -1.2836   -1.2376 -0.6951 -0.9514
H8 0.8702 -0.7125 -1.2410   -1.1875 -0.7984 0.8702
Atom - Atom Distances (Å)
  N1 H2 C3 C4 H5 H6 H7 H8
N1 1.0141 1.4631 1.4631 2.1576 2.2054 2.1576 2.2054
H2 1.0141 2.0580 2.0580 2.9347 2.3562 2.9347 2.3562
C3 1.4631 2.0580 1.4785 1.0841 1.0852 2.2296 2.2017
C4 1.4631 2.0580 1.4785 2.2296 2.2017 1.0841 1.0852
H5 2.1576 2.9347 1.0841 2.2296 1.8252 2.5672 3.1150
H6 2.2054 2.3562 1.0852 2.2017 1.8252 3.1150 2.4819
H7 2.1576 2.9347 2.2296 1.0841 2.5672 3.1150 1.8252
H8 2.2054 2.3562 2.2017 1.0852 3.1150 2.4819 1.8252
Maximum atom distance is 3.1150Å 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 59.652 N1 C4 C3 59.652
C3 N1 C4 60.696
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 114.968 N1 C3 H6 119.115
N1 C4 H7 114.968 N1 C4 H8 119.115
H2 N1 C3 111.051 H2 N1 C4 111.051
C3 C4 H7 120.140 C3 C4 H8 117.536
C4 C3 H5 120.140 C4 C3 H6 117.536
H5 C3 H6 114.564 H7 C4 H8 114.564

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