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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

CBS-Q


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1436   0.0000 0.1436 0.0000
O2 0.0000 0.0000 1.3425   0.0000 1.3425 0.0000
N3 0.0000 1.1448 -0.5901   1.1448 -0.5901 0.0000
N4 0.0000 -1.1448 -0.5901   -1.1448 -0.5901 0.0000
H5 0.0000 1.9980 -0.0900   1.9980 -0.0900 0.0000
H6 0.0000 1.1683 -1.5802   1.1683 -1.5802 0.0000
H7 0.0000 -1.9980 -0.0900   -1.9980 -0.0900 0.0000
H8 0.0000 -1.1683 -1.5802   -1.1683 -1.5802 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 N4 H5 H6 H7 H8
C1 1.1989 1.3597 1.3597 2.0116 2.0824 2.0116 2.0824
O2 1.1989 2.2462 2.2462 2.4585 3.1476 2.4585 3.1476
N3 1.3597 2.2462 2.2895 0.9890 0.9904 3.1823 2.5160
N4 1.3597 2.2462 2.2895 3.1823 2.5160 0.9890 0.9904
H5 2.0116 2.4585 0.9890 3.1823 1.7056 3.9960 3.4994
H6 2.0824 3.1476 0.9904 2.5160 1.7056 3.4994 2.3366
H7 2.0116 2.4585 3.1823 0.9890 3.9960 3.4994 1.7056
H8 2.0824 3.1476 2.5160 0.9904 3.4994 2.3366 1.7056
Maximum atom distance is 3.9960Å 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 122.657 O2 C1 N4 122.657
N3 C1 N4 114.686
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 116.968 C1 N3 H6 124.019
C1 N4 H7 116.968 C1 N4 H8 124.019
H5 N3 H6 119.013 H7 N4 H8 119.013

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