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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

mPW1PW91/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3570 -0.5603 0.1179   -1.3411 -0.5988 0.1107
C2 -0.6341 0.6514 -0.2682   -0.6503 0.6301 -0.2800
C3 0.7869 0.5554 0.2648   0.7678 0.5806 0.2668
O4 1.4062 -0.6356 -0.1663   1.4257 -0.5956 -0.1476
H5 -1.6449 -0.5188 1.0907   -1.6392 -0.5569 1.0805
H6 -2.1967 -0.6861 -0.4348   -2.1716 -0.7541 -0.4484
H7 -1.1014 1.5875 0.0831   -1.1481 1.5552 0.0583
H8 -0.5980 0.6848 -1.3648   -0.6050 0.6546 -1.3765
H9 1.3899 1.3970 -0.0990   1.3494 1.4362 -0.0994
H10 0.7722 0.6099 1.3699   0.7412 0.6446 1.3711
H11 0.7117 -1.3082 -0.1192   0.7507 -1.2878 -0.1005
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4629 2.4213 2.7789 1.0153 1.0131 2.1632 2.0796 3.3799 2.7332 2.2125
C2 1.4629 1.5206 2.4145 2.0586 2.0636 1.1036 1.0977 2.1636 2.1593 2.3819
C3 2.4213 1.5206 1.4099 2.7838 3.3064 2.1596 2.1424 1.0974 1.1065 1.9042
O4 2.7789 2.4145 1.4099 3.3020 3.6133 3.3605 2.6827 2.0338 2.0768 0.9680
H5 1.0153 2.0586 2.7838 3.3020 1.6308 2.3973 2.9281 3.7809 2.6822 2.7641
H6 1.0131 2.0636 3.3064 3.6133 1.6308 2.5762 2.3022 4.1612 3.7082 2.9909
H7 2.1632 1.1036 2.1596 3.3605 2.3973 2.5762 1.7789 2.5052 2.4743 3.4224
H8 2.0796 1.0977 2.1424 2.6827 2.9281 2.3022 1.7789 2.4619 3.0596 2.6905
H9 3.3799 2.1636 1.0974 2.0338 3.7809 4.1612 2.5052 2.4619 1.7773 2.7890
H10 2.7332 2.1593 1.1065 2.0768 2.6822 3.7082 2.4743 3.0596 1.7773 2.4290
H11 2.2125 2.3819 1.9042 0.9680 2.7641 2.9909 3.4224 2.6905 2.7890 2.4290
Maximum atom distance is 4.1612Å between atoms H6 and H9.
picture of monoethanolamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 108.479 C2 C3 O4 110.897
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 114.156 N1 C2 H8 107.764
C2 N1 H5 111.044 C2 N1 H6 111.620
C2 C3 H9 110.417 C2 C3 H10 109.546
C3 C2 H7 109.738 C3 C2 H8 108.747
C3 O4 H11 104.881 O4 C3 H9 107.760
O4 C3 H10 110.657 H5 N1 H6 107.026
H7 C2 H8 107.823 H9 C3 H10 107.493

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