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Geometry for CNOH3 (1,2-oxaziridine) 1A C1

1910171554
InChI=1S/CH3NO/c1-2-3-1/h2H,1H2 INChIKey=SJGALSBBFTYSBA-UHFFFAOYSA-N

MP2=FULL/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6783 -0.3575 0.0178   -0.2597 0.7209 -0.0324
N2 -0.7473 -0.4375 -0.1593   0.8549 -0.1769 0.1145
O3 -0.0080 0.8748 0.0174   -0.5846 -0.6495 0.0461
H4 1.1172 -0.6455 0.9665   -0.4472 1.1894 -0.9920
H5 1.2654 -0.5706 -0.8655   -0.4942 1.3121 0.8427
H6 -1.1573 -0.5749 0.7679   1.1924 -0.3924 -0.8269
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4388 1.4105 1.0843 1.0818 1.9949
N2 1.4388 1.5166 2.1878 2.1372 1.0231
O3 1.4105 1.5166 2.1162 2.1191 1.9965
H4 1.0843 2.1878 2.1162 1.8394 2.2843
H5 1.0818 2.1372 2.1191 1.8394 2.9220
H6 1.9949 1.0231 1.9965 2.2843 2.9220
Maximum atom distance is 2.9220Å between atoms H5 and H6.
picture of 1,2-oxaziridine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 O3 56.943 C1 O3 N2 58.749
N2 C1 O3 64.309
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 107.044 N2 C1 H4 119.599
N2 C1 H5 115.236 O3 C1 H4 115.419
O3 C1 H5 115.852 O3 N2 H6 101.889
H4 C1 H5 116.254

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