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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

CCD/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1518   0.0000 0.1518 0.0000
O2 0.0000 0.0000 1.3638   0.0000 1.3638 0.0000
N3 0.0000 1.1632 -0.6237   1.1619 -0.6237 -0.0559
N4 0.0000 -1.1632 -0.6237   -1.1619 -0.6237 0.0559
H5 0.2720 1.9699 -0.0676   1.9807 -0.0676 0.1770
H6 0.5482 1.0906 -1.4773   1.1157 -1.4773 0.4952
H7 -0.2720 -1.9699 -0.0676   -1.9807 -0.0676 -0.1770
H8 -0.5482 -1.0906 -1.4773   -1.1157 -1.4773 -0.4952
Atom - Atom Distances (Å)
  C1 O2 N3 N4 H5 H6 H7 H8
C1 1.2120 1.3980 1.3980 2.0007 2.0356 2.0007 2.0356
O2 1.2120 2.3029 2.3029 2.4502 3.0922 2.4502 3.0922
N3 1.3980 2.3029 2.3265 1.0168 1.0171 3.1937 2.4716
N4 1.3980 2.3029 2.3265 3.1937 2.4716 1.0168 1.0171
H5 2.0007 2.4502 1.0168 3.1937 1.6842 3.9772 3.4679
H6 2.0356 3.0922 1.0171 2.4716 1.6842 3.4679 2.4413
H7 2.0007 2.4502 3.1937 1.0168 3.9772 3.4679 1.6842
H8 2.0356 3.0922 2.4716 1.0171 3.4679 2.4413 1.6842
Maximum atom distance is 3.9772Å 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 123.690 O2 C1 N4 123.690
N3 C1 N4 112.619
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 110.900 C1 N3 H6 113.960
C1 N4 H7 110.900 C1 N4 H8 113.960
H5 N3 H6 111.802 H7 N4 H8 111.802

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