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Geometry for H2NCH2COOH (Glycine) 1A' CS

1910171554
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) INChIKey=DHMQDGOQFOQNFH-UHFFFAOYSA-N

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5502 0.0000   0.5402 -0.1048 0.0000
O2 1.1926 0.8120 0.0000   1.0243 1.0161 0.0000
O3 -0.9732 1.5053 0.0000   1.2924 -1.2422 0.0000
C4 -0.5861 -0.8597 0.0000   -0.9556 -0.4116 0.0000
N5 0.3898 -1.9378 0.0000   -1.8280 0.7518 0.0000
H6 -0.4849 2.3614 0.0000   2.2257 -0.9259 0.0000
H7 -1.2580 -0.9467 0.8817   -1.1690 -1.0546 0.8817
H8 -1.2580 -0.9467 -0.8817   -1.1690 -1.0546 -0.8817
H9 1.0167 -1.7929 0.8067   -1.5664 1.3397 0.8067
H10 1.0167 -1.7929 -0.8067   -1.5664 1.3397 -0.8067
Atom - Atom Distances (Å)
  C1 O2 O3 C4 N5 H6 H7 H8 H9 H10
C1 1.2210 1.3636 1.5269 2.5183 1.8749 2.1450 2.1450 2.6786 2.6786
O2 1.2210 2.2741 2.4409 2.8646 2.2835 3.1426 3.1426 2.7326 2.7326
O3 1.3636 2.2741 2.3965 3.7031 0.9855 2.6213 2.6213 3.9356 3.9356
C4 1.5269 2.4409 2.3965 1.4542 3.2226 1.1120 1.1120 2.0225 2.0225
N5 2.5183 2.8646 3.7031 1.4542 4.3872 2.1153 2.1153 1.0319 1.0319
H6 1.8749 2.2835 0.9855 3.2226 4.3872 3.5098 3.5098 4.4904 4.4904
H7 2.1450 3.1426 2.6213 1.1120 2.1153 3.5098 1.7635 2.4281 2.9565
H8 2.1450 3.1426 2.6213 1.1120 2.1153 3.5098 1.7635 2.9565 2.4281
H9 2.6786 2.7326 3.9356 2.0225 1.0319 4.4904 2.4281 2.9565 1.6133
H10 2.6786 2.7326 3.9356 2.0225 1.0319 4.4904 2.9565 2.4281 1.6133
Maximum atom distance is 4.4904Å between atoms H6 and H9.
picture of Glycine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 N5 115.277 O2 C1 O3 123.158
O2 C1 C4 124.951 O3 C1 C4 111.890
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 104.761 C1 C4 H7 107.712
C1 C4 H8 107.712 C4 N5 H9 107.678
C4 N5 H10 107.678 N5 C4 H7 110.331
N5 C4 H8 110.331 H7 C4 H8 104.925
H9 N5 H10 102.845

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