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

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

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0063 -0.7891 0.0000   -0.7831 -0.0967 0.0000
C2 0.0000 0.7443 0.0000   0.7379 0.0971 0.0000
O3 -1.0625 1.3319 0.0000   1.4591 -0.8797 0.0000
O4 1.0150 -1.4310 0.0000   -1.5512 0.8197 0.0000
O5 -1.2120 -1.2932 0.0000   -1.1241 -1.3703 0.0000
N6 1.2179 1.2837 0.0000   1.1139 1.3750 0.0000
H7 1.3221 2.2801 0.0000   2.0882 1.6082 0.0000
H8 2.0246 0.6887 0.0000   0.4187 2.0971 0.0000
H9 -1.8336 -0.5480 0.0000   -0.3042 -1.8894 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 N6 H7 H8 H9
C1 1.5333 2.3751 1.1957 1.3185 2.4010 3.3394 2.5014 1.8556
C2 1.5333 1.2142 2.4004 2.3707 1.3321 2.0265 2.0253 2.2432
O3 2.3751 1.2142 3.4569 2.6294 2.2810 2.5662 3.1534 2.0319
O4 1.1957 2.4004 3.4569 2.2313 2.7223 3.7238 2.3478 2.9823
O5 1.3185 2.3707 2.6294 2.2313 3.5419 4.3807 3.7952 0.9704
N6 2.4010 1.3321 2.2810 2.7223 3.5419 1.0018 1.0024 3.5591
H7 3.3394 2.0265 2.5662 3.7238 4.3807 1.0018 1.7396 4.2375
H8 2.5014 2.0253 3.1534 2.3478 3.7952 1.0024 1.7396 4.0515
H9 1.8556 2.2432 2.0319 2.9823 0.9704 3.5591 4.2375 4.0515
Maximum atom distance is 4.3807Å between atoms O5 and H7.
picture of Oxamic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 119.181 C1 C2 N6 113.657
C2 C1 O4 122.707 C2 C1 O5 112.245
O3 C2 N6 127.162 O4 C1 O5 125.048
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H9 107.354 C2 N6 H7 119.859
C2 N6 H8 119.691 H7 N6 H8 120.450

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