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Geometry for NH2CONH2 (Urea) 1A1 C2V

1910171554
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4) INChIKey=XSQUKJJJFZCRTK-UHFFFAOYSA-N

MP3=FULL/3-21G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1480   0.0000 0.1480 0.0000
O2 0.0000 0.0000 1.3861   0.0000 1.3861 0.0000
N3 0.0000 1.1609 -0.6089   1.1609 -0.6089 0.0000
N4 0.0000 -1.1609 -0.6089   -1.1609 -0.6089 0.0000
H5 0.0000 2.0364 -0.1100   2.0364 -0.1100 0.0000
H6 0.0000 1.1714 -1.6161   1.1714 -1.6161 0.0000
H7 0.0000 -2.0364 -0.1100   -2.0364 -0.1100 0.0000
H8 0.0000 -1.1714 -1.6161   -1.1714 -1.6161 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 N4 H5 H6 H7 H8
C1 1.2381 1.3859 1.3859 2.0527 2.1176 2.0527 2.1176
O2 1.2381 2.3082 2.3082 2.5269 3.2226 2.5269 3.2226
N3 1.3859 2.3082 2.3219 1.0077 1.0073 3.2361 2.5406
N4 1.3859 2.3082 2.3219 3.2361 2.5406 1.0077 1.0073
H5 2.0527 2.5269 1.0077 3.2361 1.7369 4.0729 3.5439
H6 2.1176 3.2226 1.0073 2.5406 1.7369 3.5439 2.3429
H7 2.0527 2.5269 3.2361 1.0077 4.0729 3.5439 1.7369
H8 2.1176 3.2226 2.5406 1.0073 3.5439 2.3429 1.7369
Maximum atom distance is 4.0729Å between atoms H5 and H7.
picture of Urea
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 N3 123.103 O2 C1 N4 123.103
N3 C1 N4 113.794
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 117.221 C1 N3 H6 123.700
C1 N4 H7 117.221 C1 N4 H8 123.700
H5 N3 H6 119.079 H7 N4 H8 119.079

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