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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

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0385 0.8764 0.0000   -0.0619 0.8742 -0.0385
H2 0.9029 1.2731 0.0000   -0.0898 1.2699 0.9029
C3 -0.0385 -0.3980 0.7417   0.7680 -0.3447 -0.0385
C4 -0.0385 -0.3980 -0.7417   -0.7118 -0.4494 -0.0385
H5 -0.9571 -0.6077 1.2857   1.3254 -0.5155 -0.9571
H6 0.8715 -0.7080 1.2549   1.3018 -0.6176 0.8715
H7 -0.9571 -0.6077 -1.2857   -1.2396 -0.6970 -0.9571
H8 0.8715 -0.7080 -1.2549   -1.2018 -0.7948 0.8715
Atom - Atom Distances (Å)
  N1 H2 C3 C4 H5 H6 H7 H8
N1 1.0216 1.4745 1.4745 2.1678 2.2165 2.1678 2.2165
H2 1.0216 2.0565 2.0565 2.9411 2.3453 2.9411 2.3453
C3 1.4745 2.0565 1.4835 1.0879 1.0897 2.2357 2.2161
C4 1.4745 2.0565 1.4835 2.2357 2.2161 1.0879 1.0897
H5 2.1678 2.9411 1.0879 2.2357 1.8316 2.5713 3.1318
H6 2.2165 2.3453 1.0897 2.2161 1.8316 3.1318 2.5099
H7 2.1678 2.9411 2.2357 1.0879 2.5713 3.1318 1.8316
H8 2.2165 2.3453 2.2161 1.0897 3.1318 2.5099 1.8316
Maximum atom distance is 3.1318Å 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 59.799 N1 C4 C3 59.799
C3 N1 C4 60.402
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C3 H5 114.714 N1 C3 H6 118.861
N1 C4 H7 114.714 N1 C4 H8 118.861
H2 N1 C3 109.609 H2 N1 C4 109.609
C3 C4 H7 119.998 C3 C4 H8 118.094
C4 C3 H5 119.998 C4 C3 H6 118.094
H5 C3 H6 114.507 H7 C4 H8 114.507

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