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Geometry for C2H4N2O2 (Oxalamide) 1Ag C2H

1910171554
InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6) INChIKey=YIKSCQDJHCMVMK-UHFFFAOYSA-N

B3LYP/CEP-121G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.7774 0.0000   0.7698 -0.1083 0.0000
C2 0.0000 -0.7774 0.0000   -0.7698 0.1083 0.0000
O3 1.0829 1.4334 0.0000   1.5703 0.8725 0.0000
O4 -1.0829 -1.4334 0.0000   -1.5703 -0.8725 0.0000
N5 -1.2604 1.3052 0.0000   1.1168 -1.4300 0.0000
N6 1.2604 -1.3052 0.0000   -1.1168 1.4300 0.0000
H7 -1.3886 2.3075 0.0000   2.0914 -1.6966 0.0000
H8 -2.0519 0.6726 0.0000   0.3801 -2.1256 0.0000
H9 1.3886 -2.3075 0.0000   -2.0914 1.6966 0.0000
H10 2.0519 -0.6726 0.0000   -0.3801 2.1256 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 N5 N6 H7 H8 H9 H10
C1 1.5549 1.2660 2.4618 1.3665 2.4343 2.0662 2.0546 3.3830 2.5126
C2 1.5549 2.4618 1.2660 2.4343 1.3665 3.3830 2.5126 2.0662 2.0546
O3 1.2660 2.4618 3.5929 2.3468 2.7443 2.6215 3.2258 3.7533 2.3183
O4 2.4618 1.2660 3.5929 2.7443 2.3468 3.7533 2.3183 2.6215 3.2258
N5 1.3665 2.4343 2.3468 2.7443 3.6289 1.0104 1.0132 4.4798 3.8579
N6 2.4343 1.3665 2.7443 2.3468 3.6289 4.4798 3.8579 1.0104 1.0132
H7 2.0662 3.3830 2.6215 3.7533 1.0104 4.4798 1.7643 5.3861 4.5517
H8 2.0546 2.5126 3.2258 2.3183 1.0132 3.8579 1.7643 4.5517 4.3187
H9 3.3830 2.0662 3.7533 2.6215 4.4798 1.0104 5.3861 4.5517 1.7643
H10 2.5126 2.0546 2.3183 3.2258 3.8579 1.0132 4.5517 4.3187 1.7643
Maximum atom distance is 5.3861Å between atoms H7 and H9.
picture of Oxalamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 121.205 C1 C2 N6 112.719
C2 C1 O3 121.205 C2 C1 N5 112.719
O3 C1 N5 126.076 O4 C2 N6 126.076
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N5 H7 120.004 C1 N5 H8 118.649
C2 N6 H9 120.004 C2 N6 H10 118.649
H7 N5 H8 121.347 H9 N6 H10 121.347

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