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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

CCD/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3834 -0.5537 0.1329   -1.3656 -0.5982 0.1233
C2 -0.6423 0.6672 -0.2810   -0.6611 0.6434 -0.2928
C3 0.7927 0.5833 0.2740   0.7701 0.6114 0.2774
O4 1.4254 -0.6561 -0.1679   1.4480 -0.6097 -0.1481
H5 -1.6986 -0.5335 1.1015   -1.6914 -0.5811 1.0883
H6 -2.1421 -0.8137 -0.4917   -2.1088 -0.8880 -0.5070
H7 -1.1234 1.6139 0.0367   -1.1765 1.5760 0.0124
H8 -0.5912 0.6681 -1.3815   -0.5985 0.6376 -1.3927
H9 1.4155 1.4062 -0.1045   1.3692 1.4515 -0.1013
H10 0.7747 0.6386 1.3800   0.7387 0.6745 1.3827
H11 0.7432 -1.3587 -0.0862   0.7886 -1.3339 -0.0678
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4870 2.4593 2.8268 1.0187 1.0166 2.1853 2.1009 3.4251 2.7630 2.2844
C2 1.4870 1.5410 2.4576 2.1139 2.1182 1.1084 1.1016 2.1936 2.1835 2.4621
C3 2.4593 1.5410 1.4600 2.8528 3.3394 2.1886 2.1594 1.0992 1.1075 1.9757
O4 2.8268 2.4576 1.4600 3.3743 3.5857 3.4192 2.7006 2.0633 2.1203 0.9827
H5 1.0187 2.1139 2.8528 3.3743 1.6773 2.4650 2.9724 3.8619 2.7511 2.8379
H6 1.0166 2.1182 3.3394 3.5857 1.6773 2.6852 2.3222 4.2112 3.7577 2.9642
H7 2.1853 1.1084 2.1886 3.4192 2.4650 2.6852 1.7858 2.5512 2.5216 3.5122
H8 2.1009 1.1016 2.1594 2.7006 2.9724 2.3222 1.7858 2.4904 3.0810 2.7507
H9 3.4251 2.1936 1.0992 2.0633 3.8619 4.2112 2.5512 2.4904 1.7899 2.8455
H10 2.7630 2.1835 1.1075 2.1203 2.7511 3.7577 2.5216 3.0810 1.7899 2.4779
H11 2.2844 2.4621 1.9757 0.9827 2.8379 2.9642 3.5122 2.7507 2.8455 2.4779
Maximum atom distance is 4.2112Å 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 108.610 C2 C3 O4 109.925
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 113.903 N1 C2 H8 107.569
C2 N1 H5 113.739 C2 N1 H6 114.260
C2 C3 H9 111.271 C2 C3 H10 109.987
C3 C2 H7 110.329 C3 C2 H8 108.459
C3 O4 H11 106.313 O4 C3 H9 106.604
O4 C3 H10 110.592 H5 N1 H6 110.999
H7 C2 H8 107.808 H9 C3 H10 108.406

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