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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

MP2/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1502   0.1501 0.0058 0.0000
O2 0.0000 0.0000 1.3657   1.3647 0.0530 0.0000
N3 0.0000 1.1569 -0.6173   -0.6168 -0.0240 1.1569
N4 0.0000 -1.1569 -0.6173   -0.6168 -0.0240 -1.1569
H5 0.2060 1.9811 -0.0778   -0.0858 0.2028 1.9811
H6 0.4554 1.1206 -1.5146   -1.5312 0.3963 1.1206
H7 -0.2060 -1.9811 -0.0778   -0.0698 -0.2089 -1.9811
H8 -0.4554 -1.1206 -1.5146   -1.4958 -0.5139 -1.1206
Atom - Atom Distances (Å)
  C1 O2 N3 N4 H5 H6 H7 H8
C1 1.2155 1.3884 1.3884 2.0048 2.0579 2.0048 2.0579
O2 1.2155 2.2959 2.2959 2.4599 3.1241 2.4599 3.1241
N3 1.3884 2.2959 2.3139 1.0064 1.0069 3.1907 2.4899
N4 1.3884 2.2959 2.3139 3.1907 2.4899 1.0064 1.0069
H5 2.0048 2.4599 1.0064 3.1907 1.6932 3.9836 3.4817
H6 2.0579 3.1241 1.0069 2.4899 1.6932 3.4817 2.4193
H7 2.0048 2.4599 3.1907 1.0064 3.9836 3.4817 1.6932
H8 2.0579 3.1241 2.4899 1.0069 3.4817 2.4193 1.6932
Maximum atom distance is 3.9836Å 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 123.561 O2 C1 N4 123.561
N3 C1 N4 112.877
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 112.711 C1 N3 H6 117.555
C1 N4 H7 112.711 C1 N4 H8 117.555
H5 N3 H6 114.498 H7 N4 H8 114.498

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