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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

B1B95/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0380 0.8645 0.0000   0.0000 0.8593 -0.1015
H2 0.8880 1.2684 0.0000   0.0000 1.3304 0.7923
C3 -0.0380 -0.3924 0.7362   0.7362 -0.3942 -0.0090
C4 -0.0380 -0.3924 -0.7362   -0.7362 -0.3942 -0.0090
H5 -0.9508 -0.6039 1.2736   1.2736 -0.6723 -0.9037
H6 0.8675 -0.7014 1.2396   1.2396 -0.6356 0.9167
H7 -0.9508 -0.6039 -1.2736   -1.2736 -0.6723 -0.9037
H8 0.8675 -0.7014 -1.2396   -1.2396 -0.6356 0.9167
Atom - Atom Distances (Å)
  N1 H2 C3 C4 H5 H6 H7 H8
N1 1.0103 1.4566 1.4566 2.1474 2.1928 2.1474 2.1928
H2 1.0103 2.0391 2.0391 2.9170 2.3275 2.9170 2.3275
C3 1.4566 2.0391 1.4723 1.0802 1.0811 2.2175 2.1952
C4 1.4566 2.0391 1.4723 2.2175 2.1952 1.0802 1.0811
H5 2.1474 2.9170 1.0802 2.2175 1.8211 2.5473 3.1035
H6 2.1928 2.3275 1.0811 2.1952 1.8211 3.1035 2.4793
H7 2.1474 2.9170 2.2175 1.0802 2.5473 3.1035 1.8211
H8 2.1928 2.3275 2.1952 1.0811 3.1035 2.4793 1.8211
Maximum atom distance is 3.1035Å 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 59.642 N1 C4 C3 59.642
C3 N1 C4 60.715
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 114.860 N1 C3 H6 118.815
N1 C4 H7 114.860 N1 C4 H8 118.815
H2 N1 C3 110.183 H2 N1 C4 110.183
C3 C4 H7 119.839 C3 C4 H8 117.756
C4 C3 H5 119.839 C4 C3 H6 117.756
H5 C3 H6 114.839 H7 C4 H8 114.839

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