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Geometry for NH2NO (Nitrosamide) 1A C1

1910171554
InChI=1S/H2N2O/c1-2-3/h(H2,1,3) INChIKey=XKLJHFLUAHKGGU-UHFFFAOYSA-N

PBEPBEultrafine/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -1.1307 0.2259 0.0032   -1.1278 -0.2401 0.0032
N2 -0.1476 -0.5164 0.0017   -0.1541 0.5145 0.0017
N3 1.0257 0.1483 -0.0240   1.0275 -0.1353 -0.0241
H4 1.0252 1.1753 0.0497   1.0399 -1.1623 0.0497
H5 1.8739 -0.4056 0.0811   1.8687 0.4292 0.0809
Atom - Atom Distances (Å)
  O1 N2 N3 H4 H5
O1 1.2319 2.1580 2.3561 3.0713
N2 1.2319 1.3487 2.0590 2.0261
N3 2.1580 1.3487 1.0296 1.0185
H4 2.3561 2.0590 1.0296 1.7946
H5 3.0713 2.0261 1.0185 1.7946
Maximum atom distance is 3.0713Å between atoms O1 and H5.
picture of Nitrosamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 N2 N3 113.412
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 N3 H4 119.324 N2 N3 H5 117.036
H4 N3 H5 122.373

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