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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

MP3=FULL/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 0.1470   0.1469 0.0055 0.0000
O2 0.0000 0.0000 1.3626   1.3616 0.0508 0.0000
N3 0.0000 1.1577 -0.6147   -0.6143 -0.0229 1.1577
N4 0.0000 -1.1577 -0.6147   -0.6143 -0.0229 -1.1577
H5 0.2063 1.9850 -0.0727   -0.0803 0.2034 1.9850
H6 0.4561 1.1255 -1.5160   -1.5320 0.3992 1.1255
H7 -0.2063 -1.9850 -0.0727   -0.0649 -0.2089 -1.9850
H8 -0.4561 -1.1255 -1.5160   -1.4979 -0.5124 -1.1255
Atom - Atom Distances (Å)
  C1 O2 N3 N4 H5 H6 H7 H8
C1 1.2156 1.3858 1.3858 2.0077 2.0592 2.0077 2.0592
O2 1.2156 2.2913 2.2913 2.4582 3.1243 2.4582 3.1243
N3 1.3858 2.2913 2.3154 1.0103 1.0107 3.1957 2.4966
N4 1.3858 2.2913 2.3154 3.1957 2.4966 1.0103 1.0107
H5 2.0077 2.4582 1.0103 3.1957 1.6983 3.9913 3.4924
H6 2.0592 3.1243 1.0107 2.4966 1.6983 3.4924 2.4288
H7 2.0077 2.4582 3.1957 1.0103 3.9913 3.4924 1.6983
H8 2.0592 3.1243 2.4966 1.0107 3.4924 2.4288 1.6983
Maximum atom distance is 3.9913Å 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 123.344 O2 C1 N4 123.344
N3 C1 N4 113.313
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 112.904 C1 N3 H6 117.617
C1 N4 H7 112.904 C1 N4 H8 117.617
H5 N3 H6 114.353 H7 N4 H8 114.353

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