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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

B97D3/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0148 -0.8001 0.0000   -0.7954 -0.0877 0.0000
C2 0.0000 0.7505 0.0000   0.7443 0.0960 0.0000
O3 -1.0732 1.3489 0.0000   1.4751 -0.8918 0.0000
O4 1.0223 -1.4665 0.0000   -1.5852 0.8263 0.0000
O5 -1.2297 -1.2903 0.0000   -1.1224 -1.3846 0.0000
N6 1.2278 1.2963 0.0000   1.1286 1.3835 0.0000
H7 1.3410 2.2972 0.0000   2.1067 1.6239 0.0000
H8 2.0300 0.6841 0.0000   0.4187 2.1009 0.0000
H9 -1.8097 -0.4946 0.0000   -0.2590 -1.8581 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 N6 H7 H8 H9
C1 1.5507 2.4088 1.2080 1.3375 2.4221 3.3693 2.5028 1.8499
C2 1.5507 1.2288 2.4413 2.3826 1.3436 2.0471 2.0311 2.1967
O3 2.4088 1.2288 3.5097 2.6438 2.3016 2.5938 3.1737 1.9852
O4 1.2080 2.4413 3.5097 2.2589 2.7704 3.7771 2.3749 2.9941
O5 1.3375 2.3826 2.6438 2.2589 3.5678 4.4134 3.8110 0.9846
N6 2.4221 1.3436 2.3016 2.7704 3.5678 1.0072 1.0092 3.5261
H7 3.3693 2.0471 2.5938 3.7771 4.4134 1.0072 1.7541 4.2096
H8 2.5028 2.0311 3.1737 2.3749 3.8110 1.0092 1.7541 4.0166
H9 1.8499 2.1967 1.9852 2.9941 0.9846 3.5261 4.2096 4.0166
Maximum atom distance is 4.4134Å 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 119.693 C1 C2 N6 113.649
C2 C1 O4 123.962 C2 C1 O5 111.342
O3 C2 N6 126.658 O4 C1 O5 124.696
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H9 104.072 C2 N6 H7 120.475
C2 N6 H8 118.628 H7 N6 H8 120.898

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