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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

B2PLYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.7569 0.0000   0.7522 -0.0846 0.0000
C2 -0.0563 -0.7880 0.0000   -0.7894 0.0321 0.0000
O3 -1.0998 -1.4141 0.0000   -1.5281 -0.9350 0.0000
O4 1.0404 1.3840 0.0000   1.4916 0.8793 0.0000
O5 -1.2217 1.2896 0.0000   1.1450 -1.3581 0.0000
N6 1.1974 -1.3056 0.0000   -1.1637 1.3357 0.0000
H7 1.3129 -2.3075 0.0000   -2.1464 1.5625 0.0000
H8 2.0039 -0.6998 0.0000   -0.4716 2.0696 0.0000
H9 -1.1125 2.2566 0.0000   2.1182 -1.3576 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 N6 H7 H8 H9
C1 1.5460 2.4337 1.2148 1.3328 2.3849 3.3338 2.4775 1.8672
C2 1.5460 1.2169 2.4332 2.3822 1.3563 2.0454 2.0621 3.2226
O3 2.4337 1.2169 3.5228 2.7064 2.2997 2.5728 3.1849 3.6706
O4 1.2148 2.4332 3.5228 2.2641 2.6942 3.7016 2.2958 2.3230
O5 1.3328 2.3822 2.7064 2.2641 3.5478 4.4004 3.7898 0.9731
N6 2.3849 1.3563 2.2997 2.6942 3.5478 1.0085 1.0087 4.2455
H7 3.3338 2.0454 2.5728 3.7016 4.4004 1.0085 1.7499 5.1685
H8 2.4775 2.0621 3.1849 2.2958 3.7898 1.0087 1.7499 4.2956
H9 1.8672 3.2226 3.6706 2.3230 0.9731 4.2455 5.1685 4.2956
Maximum atom distance is 5.1685Å 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 123.046 C1 C2 N6 110.348
C2 C1 O4 123.164 C2 C1 O5 111.471
O3 C2 N6 126.607 O4 C1 O5 125.365
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H9 107.114 C2 N6 H7 119.011
C2 N6 H8 120.658 H7 N6 H8 120.331

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