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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

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5612 0.0000   0.5507 -0.1078 0.0000
O2 1.2017 0.8936 0.0000   1.1078 1.0077 0.0000
O3 -1.0336 1.5060 0.0000   1.2795 -1.3036 0.0000
C4 -0.5576 -0.8772 0.0000   -0.9679 -0.3787 0.0000
N5 0.4522 -1.9345 0.0000   -1.8116 0.8154 0.0000
H6 -0.6686 2.4206 0.0000   2.2471 -1.1210 0.0000
H7 -1.2113 -0.9766 0.8758   -1.1911 -1.0012 0.8758
H8 -1.2113 -0.9766 -0.8758   -1.1911 -1.0012 -0.8758
H9 1.0260 -1.9644 0.8384   -1.7308 1.3842 0.8384
H10 1.0260 -1.9644 -0.8384   -1.7308 1.3842 -0.8384
Atom - Atom Distances (Å)
  C1 O2 O3 C4 N5 H6 H7 H8 H9 H10
C1 1.2468 1.4004 1.5426 2.5363 1.9760 2.1445 2.1445 2.8521 2.8521
O2 1.2468 2.3177 2.4961 2.9258 2.4144 3.1760 3.1760 2.9837 2.9837
O3 1.4004 2.3177 2.4303 3.7477 0.9847 2.6386 2.6386 4.1218 4.1218
C4 1.5426 2.4961 2.4303 1.4621 3.2996 1.0974 1.0974 2.0959 2.0959
N5 2.5363 2.9258 3.7477 1.4621 4.4970 2.1100 2.1100 1.0164 1.0164
H6 1.9760 2.4144 0.9847 3.2996 4.4970 3.5500 3.5500 4.7752 4.7752
H7 2.1445 3.1760 2.6386 1.0974 2.1100 3.5500 1.7516 2.4460 2.9866
H8 2.1445 3.1760 2.6386 1.0974 2.1100 3.5500 1.7516 2.9866 2.4460
H9 2.8521 2.9837 4.1218 2.0959 1.0164 4.7752 2.4460 2.9866 1.6768
H10 2.8521 2.9837 4.1218 2.0959 1.0164 4.7752 2.9866 2.4460 1.6768
Maximum atom distance is 4.7752Å 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 115.128 O2 C1 O3 122.104
O2 C1 C4 126.654 O3 C1 C4 111.242
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 110.671 C1 C4 H7 107.446
C1 C4 H8 107.446 C4 N5 H9 114.280
C4 N5 H10 114.280 N5 C4 H7 110.236
N5 C4 H8 110.236 H7 C4 H8 105.896
H9 N5 H10 111.154

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