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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

MP3/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0578 0.7667 0.0000   0.7688 -0.0080 0.0000
C2 0.0578 -0.7667 0.0000   -0.7688 0.0080 0.0000
O3 -1.1457 1.3241 0.0000   1.3956 -1.0574 0.0000
O4 1.1457 -1.3241 0.0000   -1.3956 1.0574 0.0000
N5 1.1457 1.3658 0.0000   1.2886 1.2319 0.0000
N6 -1.1457 -1.3658 0.0000   -1.2886 -1.2319 0.0000
H7 1.2056 2.3717 0.0000   2.2885 1.3569 0.0000
H8 1.9766 0.7929 0.0000   0.6631 2.0238 0.0000
H9 -1.2056 -2.3717 0.0000   -2.2885 -1.3569 0.0000
H10 -1.9766 -0.7929 0.0000   -0.6631 -2.0238 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 N5 N6 H7 H8 H9 H10
C1 1.5377 1.2223 2.4124 1.3444 2.3939 2.0426 2.0345 3.3417 2.4726
C2 1.5377 2.4124 1.2223 2.3939 1.3444 3.3417 2.4726 2.0426 2.0345
O3 1.2223 2.4124 3.5019 2.2918 2.6899 2.5741 3.1671 3.6963 2.2742
O4 2.4124 1.2223 3.5019 2.6899 2.2918 3.6963 2.2742 2.5741 3.1671
N5 1.3444 2.3939 2.2918 2.6899 3.5654 1.0077 1.0092 4.4156 3.7959
N6 2.3939 1.3444 2.6899 2.2918 3.5654 4.4156 3.7959 1.0077 1.0092
H7 2.0426 3.3417 2.5741 3.6963 1.0077 4.4156 1.7570 5.3211 4.4879
H8 2.0345 2.4726 3.1671 2.2742 1.0092 3.7959 1.7570 4.4879 4.2593
H9 3.3417 2.0426 3.6963 2.5741 4.4156 1.0077 5.3211 4.4879 1.7570
H10 2.4726 2.0345 2.2742 3.1671 3.7959 1.0092 4.4879 4.2593 1.7570
Maximum atom distance is 5.3211Å 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 121.442 C1 C2 N6 112.152
C2 C1 O3 121.442 C2 C1 N5 112.152
O3 C1 N5 126.406 O4 C2 N6 126.406
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N5 H7 119.873 C1 N5 H8 118.949
C2 N6 H9 119.873 C2 N6 H10 118.949
H7 N5 H8 121.178 H9 N6 H10 121.178

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