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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

CID/3-21G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1486   0.0000 0.1486 0.0000
O2 0.0000 0.0000 1.3816   0.0000 1.3816 0.0000
N3 0.0000 1.1561 -0.6118   1.1560 -0.6118 -0.0187
N4 0.0000 -1.1561 -0.6118   -1.1560 -0.6118 0.0187
H5 0.0399 2.0257 -0.1083   2.0261 -0.1083 0.0071
H6 0.2656 1.1566 -1.5813   1.1607 -1.5813 0.2468
H7 -0.0399 -2.0257 -0.1083   -2.0261 -0.1083 -0.0071
H8 -0.2656 -1.1566 -1.5813   -1.1607 -1.5813 -0.2468
Atom - Atom Distances (Å)
  C1 O2 N3 N4 H5 H6 H7 H8
C1 1.2330 1.3838 1.3838 2.0423 2.0977 2.0423 2.0977
O2 1.2330 2.3044 2.3044 2.5149 3.1916 2.5149 3.1916
N3 1.3838 2.3044 2.3123 1.0056 1.0052 3.2217 2.5217
N4 1.3838 2.3044 2.3123 3.2217 2.5217 1.0056 1.0052
H5 2.0423 2.5149 1.0056 3.2217 1.7252 4.0522 3.5199
H6 2.0977 3.1916 1.0052 2.5217 1.7252 3.5199 2.3733
H7 2.0423 2.5149 3.2217 1.0056 4.0522 3.5199 1.7252
H8 2.0977 3.1916 2.5217 1.0052 3.5199 2.3733 1.7252
Maximum atom distance is 4.0522Å 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 123.332 O2 C1 N4 123.332
N3 C1 N4 113.336
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 116.573 C1 N3 H6 122.027
C1 N4 H7 116.573 C1 N4 H8 122.027
H5 N3 H6 118.169 H7 N4 H8 118.169

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