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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

CID/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7246 -0.3409 0.0188   -0.5295 0.6008 -0.0174
N2 -0.7454 -0.4916 -0.1578   0.8871 0.1596 0.0988
O3 -0.0564 0.9088 0.0149   -0.3100 -0.8551 0.0448
H4 1.1776 -0.6056 0.9659   -0.8943 0.9780 -0.9644
H5 1.3086 -0.5384 -0.8670   -0.9345 1.0582 0.8723
H6 -1.1648 -0.6398 0.7735   1.2760 0.0823 -0.8541
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4882 1.4737 1.0827 1.0792 2.0564
N2 1.4882 1.5702 2.2301 2.1735 1.0321
O3 1.4737 1.5702 2.1727 2.1761 2.0499
H4 1.0827 2.2301 2.1727 1.8388 2.3505
H5 1.0792 2.1735 2.1761 1.8388 2.9697
H6 2.0564 1.0321 2.0499 2.3505 2.9697
Maximum atom distance is 2.9697Å 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 57.539 C1 O3 N2 58.435
N2 C1 O3 64.026
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 107.993 N2 C1 H4 119.491
N2 C1 H5 114.743 O3 C1 H4 115.551
O3 C1 H5 116.090 O3 N2 H6 101.955
H4 C1 H5 116.547

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