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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

mPW1PW91/aug-cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0584 0.7677 0.0000   0.7698 -0.0146 0.0000
C2 0.0584 -0.7677 0.0000   -0.7698 0.0146 0.0000
O3 -1.1446 1.3273 0.0000   1.3903 -1.0671 0.0000
O4 1.1446 -1.3273 0.0000   -1.3903 1.0671 0.0000
N5 1.1446 1.3625 0.0000   1.2951 1.2204 0.0000
N6 -1.1446 -1.3625 0.0000   -1.2951 -1.2204 0.0000
H7 1.2142 2.3665 0.0000   2.2935 1.3470 0.0000
H8 1.9666 0.7758 0.0000   0.6625 2.0076 0.0000
H9 -1.2142 -2.3665 0.0000   -2.2935 -1.3470 0.0000
H10 -1.9666 -0.7758 0.0000   -0.6625 -2.0076 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 N5 N6 H7 H8 H9 H10
C1 1.5399 1.2218 2.4158 1.3420 2.3911 2.0434 2.0250 3.3405 2.4543
C2 1.5399 2.4158 1.2218 2.3911 1.3420 3.3405 2.4543 2.0434 2.0250
O3 1.2218 2.4158 3.5053 2.2895 2.6898 2.5775 3.1597 3.6944 2.2580
O4 2.4158 1.2218 3.5053 2.6898 2.2895 3.6944 2.2580 2.5775 3.1597
N5 1.3420 2.3911 2.2895 2.6898 3.5589 1.0064 1.0099 4.4124 3.7751
N6 2.3911 1.3420 2.6898 2.2895 3.5589 4.4124 3.7751 1.0064 1.0099
H7 2.0434 3.3405 2.5775 3.6944 1.0064 4.4124 1.7597 5.3196 4.4711
H8 2.0250 2.4543 3.1597 2.2580 1.0099 3.7751 1.7597 4.4711 4.2281
H9 3.3405 2.0434 3.6944 2.5775 4.4124 1.0064 5.3196 4.4711 1.7597
H10 2.4543 2.0250 2.2580 3.1597 3.7751 1.0099 4.4711 4.2281 1.7597
Maximum atom distance is 5.3196Å 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 121.610 C1 C2 N6 111.954
C2 C1 O3 121.610 C2 C1 N5 111.954
O3 C1 N5 126.436 O4 C2 N6 126.436
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N5 H7 120.271 C1 N5 H8 118.175
C2 N6 H9 120.271 C2 N6 H10 118.175
H7 N5 H8 121.554 H9 N6 H10 121.554

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