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Geometry for C2H3NO3 (Oxamic acid) 1A' H out

1910171554
InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6) INChIKey=SOWBFZRMHSNYGE-UHFFFAOYSA-N

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.7621 0.0000   0.7580 0.0788 0.0000
C2 -0.0582 -0.7935 0.0000   -0.7832 -0.1400 0.0000
O3 -1.1040 -1.4278 0.0000   -1.3060 -1.2458 0.0000
O4 1.0451 1.3943 0.0000   1.2787 1.1838 0.0000
O5 -1.2294 1.2928 0.0000   1.4130 -1.0890 0.0000
N6 1.2044 -1.3068 0.0000   -1.4244 1.0628 0.0000
H7 1.3287 -2.3151 0.0000   -2.4402 1.0821 0.0000
H8 2.0123 -0.6893 0.0000   -0.8937 1.9303 0.0000
H9 -1.1167 2.2665 0.0000   2.3699 -0.8763 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 N6 H7 H8 H9
C1 1.5566 2.4524 1.2215 1.3390 2.3939 3.3518 2.4811 1.8736
C2 1.5566 1.2232 2.4502 2.3925 1.3630 2.0589 2.0732 3.2379
O3 2.4524 1.2232 3.5473 2.7235 2.3116 2.5895 3.2027 3.6943
O4 1.2215 2.4502 3.5473 2.2767 2.7058 3.7202 2.2971 2.3311
O5 1.3390 2.3925 2.7235 2.2767 3.5611 4.4227 3.7996 0.9802
N6 2.3939 1.3630 2.3116 2.7058 3.5611 1.0159 1.0169 4.2610
H7 3.3518 2.0589 2.5895 3.7202 4.4227 1.0159 1.7637 5.1934
H8 2.4811 2.0732 3.2027 2.2971 3.7996 1.0169 1.7637 4.3044
H9 1.8736 3.2379 3.6943 2.3311 0.9802 4.2610 5.1934 4.3044
Maximum atom distance is 5.1934Å between atoms H7 and H9.
picture of Oxamic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 123.383 C1 C2 N6 109.984
C2 C1 O4 123.315 C2 C1 O5 111.207
O3 C2 N6 126.632 O4 C1 O5 125.479
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H9 106.750 C2 N6 H7 119.156
C2 N6 H8 120.480 H7 N6 H8 120.364

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