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Geometry for NH2CONH2 (Urea) 1A C2

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

HSEh1PBE/6-31G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1420   0.1420 0.0000 0.0000
O2 0.0000 0.0000 1.3592   1.3592 0.0002 0.0000
N3 0.0000 1.1572 -0.6127   -0.6127 -0.0001 1.1572
N4 0.0000 -1.1572 -0.6127   -0.6127 -0.0001 -1.1572
H5 0.2074 1.9761 -0.0629   -0.0629 0.2074 1.9761
H6 0.4570 1.1296 -1.5112   -1.5112 0.4567 1.1296
H7 -0.2074 -1.9761 -0.0629   -0.0629 -0.2074 -1.9761
H8 -0.4570 -1.1296 -1.5112   -1.5111 -0.4572 -1.1296
Atom - Atom Distances (Å)
  C1 O2 N3 N4 H5 H6 H7 H8
C1 1.2172 1.3816 1.3816 1.9975 2.0537 1.9975 2.0537
O2 1.2172 2.2863 2.2863 2.4434 3.1183 2.4434 3.1183
N3 1.3816 2.2863 2.3145 1.0079 1.0084 3.1880 2.4992
N4 1.3816 2.2863 2.3145 3.1880 2.4992 1.0079 1.0084
H5 1.9975 2.4434 1.0079 3.1880 1.6960 3.9739 3.4906
H6 2.0537 3.1183 1.0084 2.4992 1.6960 3.4906 2.4371
H7 1.9975 2.4434 3.1880 1.0079 3.9739 3.4906 1.6960
H8 2.0537 3.1183 2.4992 1.0084 3.4906 2.4371 1.6960
Maximum atom distance is 3.9739Å 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 123.110 O2 C1 N4 123.110
N3 C1 N4 113.780
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 112.494 C1 N3 H6 117.631
C1 N4 H7 112.494 C1 N4 H8 117.631
H5 N3 H6 114.519 H7 N4 H8 114.519

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