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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/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 0.5552 0.0000   0.5450 0.1061 0.0000
O2 1.1770 0.8466 0.0000   0.6060 1.3171 0.0000
O3 -0.9863 1.4857 0.0000   1.6468 -0.6842 0.0000
C4 -0.5668 -0.8618 0.0000   -0.7375 -0.7210 0.0000
N5 0.4083 -1.9330 0.0000   -1.9754 0.0313 0.0000
H6 -0.5622 2.3610 0.0000   2.4250 -0.1006 0.0000
H7 -1.2234 -0.9541 0.8734   -0.7027 -1.3832 0.8734
H8 -1.2234 -0.9541 -0.8734   -0.7027 -1.3832 -0.8734
H9 1.0130 -1.8701 0.8143   -2.0293 0.6368 0.8143
H10 1.0130 -1.8701 -0.8143   -2.0293 0.6368 -0.8143
Atom - Atom Distances (Å)
  C1 O2 O3 C4 N5 H6 H7 H8 H9 H10
C1 1.2126 1.3560 1.5261 2.5215 1.8913 2.1301 2.1301 2.7516 2.7516
O2 1.2126 2.2558 2.4412 2.8840 2.3062 3.1253 3.1253 2.8409 2.8409
O3 1.3560 2.2558 2.3846 3.6923 0.9727 2.6023 2.6023 3.9902 3.9902
C4 1.5261 2.4412 2.3846 1.4486 3.2228 1.0965 1.0965 2.0434 2.0434
N5 2.5215 2.8840 3.6923 1.4486 4.4024 2.0937 2.0937 1.0161 1.0161
H6 1.8913 2.3062 0.9727 3.2228 4.4024 3.4915 3.4915 4.5877 4.5877
H7 2.1301 3.1253 2.6023 1.0965 2.0937 3.4915 1.7468 2.4174 2.9476
H8 2.1301 3.1253 2.6023 1.0965 2.0937 3.4915 1.7468 2.9476 2.4174
H9 2.7516 2.8409 3.9902 2.0434 1.0161 4.5877 2.4174 2.9476 1.6285
H10 2.7516 2.8409 3.9902 2.0434 1.0161 4.5877 2.9476 2.4174 1.6285
Maximum atom distance is 4.5877Å 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 115.889 O2 C1 O3 122.763
O2 C1 C4 125.708 O3 C1 C4 111.530
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 107.480 C1 C4 H7 107.493
C1 C4 H8 107.493 C4 N5 H9 110.778
C4 N5 H10 110.778 N5 C4 H7 109.922
N5 C4 H8 109.922 H7 C4 H8 105.593
H9 N5 H10 106.513

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