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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/SDD


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1392   0.1392 -0.0001 0.0000
O2 0.0000 0.0000 1.4095   1.4095 -0.0010 0.0000
N3 -0.0108 1.1825 -0.6183   -0.6183 -0.0103 1.1825
N4 0.0108 -1.1825 -0.6183   -0.6183 0.0113 -1.1825
H5 0.0000 2.0582 -0.1079   -0.1079 0.0001 2.0582
H6 0.1401 1.1974 -1.6199   -1.6198 0.1413 1.1974
H7 0.0000 -2.0582 -0.1079   -0.1079 0.0001 -2.0582
H8 -0.1401 -1.1974 -1.6199   -1.6200 -0.1389 -1.1974
Atom - Atom Distances (Å)
  C1 O2 N3 N4 H5 H6 H7 H8
C1 1.2703 1.4044 1.4044 2.0730 2.1326 2.0730 2.1326
O2 1.2703 2.3474 2.3474 2.5571 3.2605 2.5571 3.2605
N3 1.4044 2.3474 2.3651 1.0137 1.0131 3.2807 2.5853
N4 1.4044 2.3474 2.3651 3.2807 2.5853 1.0137 1.0131
H5 2.0730 2.5571 1.0137 3.2807 1.7456 4.1165 3.5924
H6 2.1326 3.2605 1.0131 2.5853 1.7456 3.5924 2.4111
H7 2.0730 2.5571 3.2807 1.0137 4.1165 3.5924 1.7456
H8 2.1326 3.2605 2.5853 1.0131 3.5924 2.4111 1.7456
Maximum atom distance is 4.1165Å 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 122.641 O2 C1 N4 122.641
N3 C1 N4 114.717
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 117.114 C1 N3 H6 122.990
C1 N4 H7 117.114 C1 N4 H8 122.990
H5 N3 H6 118.921 H7 N4 H8 118.921

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