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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

B3PW91/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5531 0.0000   0.5434 -0.1029 0.0000
O2 1.1769 0.8382 0.0000   1.0426 1.0003 0.0000
O3 -0.9790 1.4835 0.0000   1.2753 -1.2380 0.0000
C4 -0.5678 -0.8578 0.0000   -0.9485 -0.3983 0.0000
N5 0.4019 -1.9258 0.0000   -1.8174 0.7533 0.0000
H6 -0.5479 2.3531 0.0000   2.2100 -0.9763 0.0000
H7 -1.2265 -0.9483 0.8723   -1.1600 -1.0286 0.8723
H8 -1.2265 -0.9483 -0.8723   -1.1600 -1.0286 -0.8723
H9 1.0061 -1.8604 0.8128   -1.6406 1.3348 0.8128
H10 1.0061 -1.8604 -0.8128   -1.6406 1.3348 -0.8128
Atom - Atom Distances (Å)
  C1 O2 O3 C4 N5 H6 H7 H8 H9 H10
C1 1.2109 1.3506 1.5209 2.5113 1.8816 2.1259 2.1259 2.7382 2.7382
O2 1.2109 2.2504 2.4332 2.8707 2.2956 3.1191 3.1191 2.8235 2.8235
O3 1.3506 2.2504 2.3771 3.6784 0.9706 2.5953 2.5953 3.9728 3.9728
C4 1.5209 2.4332 2.3771 1.4426 3.2110 1.0967 1.0967 2.0355 2.0355
N5 2.5113 2.8707 3.6784 1.4426 4.3831 2.0900 2.0900 1.0149 1.0149
H6 1.8816 2.2956 0.9706 3.2110 4.3831 3.4815 3.4815 4.5640 4.5640
H7 2.1259 3.1191 2.5953 1.0967 2.0900 3.4815 1.7445 2.4125 2.9421
H8 2.1259 3.1191 2.5953 1.0967 2.0900 3.4815 1.7445 2.9421 2.4125
H9 2.7382 2.8235 3.9728 2.0355 1.0149 4.5640 2.4125 2.9421 1.6255
H10 2.7382 2.8235 3.9728 2.0355 1.0149 4.5640 2.9421 2.4125 1.6255
Maximum atom distance is 4.5640Å 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 115.839 O2 C1 O3 122.838
O2 C1 C4 125.544 O3 C1 C4 111.618
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 107.174 C1 C4 H7 107.506
C1 C4 H8 107.506 C4 N5 H9 110.640
C4 N5 H10 110.640 N5 C4 H7 110.034
N5 C4 H8 110.034 H7 C4 H8 105.369
H9 N5 H10 106.420

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