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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

LSDA/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0291 -0.7820 0.0000   -0.7821 -0.0251 0.0000
C2 0.0000 0.7324 0.0000   0.7307 0.0508 0.0000
O3 -1.1201 1.3030 0.0000   1.3775 -1.0271 0.0000
O4 1.0695 -1.4408 0.0000   -1.5114 0.9671 0.0000
O5 -1.2198 -1.2671 0.0000   -1.1796 -1.3047 0.0000
N6 1.2102 1.2898 0.0000   1.2029 1.2967 0.0000
H7 1.3289 2.3001 0.0000   2.2025 1.4851 0.0000
H8 2.0157 0.6580 0.0000   0.5168 2.0564 0.0000
H9 -1.8282 -0.4502 0.0000   -0.3224 -1.8550 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 N6 H7 H8 H9
C1 1.5147 2.3807 1.2315 1.3399 2.3848 3.3449 2.4536 1.8867
C2 1.5147 1.2570 2.4221 2.3423 1.3324 2.0551 2.0170 2.1773
O3 2.3807 1.2570 3.5104 2.5721 2.3303 2.6442 3.2014 1.8908
O4 1.2315 2.4221 3.5104 2.2959 2.7343 3.7499 2.3022 3.0624
O5 1.3399 2.3423 2.5721 2.2959 3.5275 4.3842 3.7649 1.0186
N6 2.3848 1.3324 2.3303 2.7343 3.5275 1.0172 1.0237 3.5014
H7 3.3449 2.0551 2.6442 3.7499 4.3842 1.0172 1.7799 4.1870
H8 2.4536 2.0170 3.2014 2.3022 3.7649 1.0237 1.7799 4.0004
H9 1.8867 2.1773 1.8908 3.0624 1.0186 3.5014 4.1870 4.0004
Maximum atom distance is 4.3842Å 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 118.096 C1 C2 N6 113.629
C2 C1 O4 123.445 C2 C1 O5 110.127
O3 C2 N6 128.275 O4 C1 O5 126.428
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H9 105.445 C2 N6 H7 121.431
C2 N6 H8 117.157 H7 N6 H8 121.412

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