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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

CCD/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6961 -0.3226 0.0170   0.3654 -0.6748 -0.0074
N2 -0.7236 -0.4609 -0.1605   -0.8646 0.0630 -0.1012
O3 -0.0532 0.8623 0.0200   0.4731 0.7231 -0.0135
H4 1.1479 -0.5966 0.9651   0.6287 -1.1634 0.9254
H5 1.2987 -0.5043 -0.8645   0.6782 -1.1818 -0.9120
H6 -1.1323 -0.6356 0.7601   -1.2321 0.1685 0.8470
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4374 1.4020 1.0854 1.0832 1.9983
N2 1.4374 1.4943 2.1881 2.1418 1.0223
O3 1.4020 1.4943 2.1129 2.1161 1.9889
H4 1.0854 2.1881 2.1129 1.8381 2.2897
H5 1.0832 2.1418 2.1161 1.8381 2.9269
H6 1.9983 1.0223 1.9889 2.2897 2.9269
Maximum atom distance is 2.9269Å 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 57.097 C1 O3 N2 59.408
N2 C1 O3 63.495
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 107.462 N2 C1 H4 119.652
N2 C1 H5 115.648 O3 C1 H4 115.722
O3 C1 H5 116.158 O3 N2 H6 102.818
H4 C1 H5 115.909

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