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Geometry for CH2CHCONH2 (Acrylamide) 1A CS

1910171554
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) INChIKey=HRPVXLWXLXDGHG-UHFFFAOYSA-N

B3LYP/CEP-121G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.8117 -0.6576 -0.0219   -0.7792 0.6959 -0.0219
C2 0.4638 0.1502 -0.0095   0.4560 -0.1723 -0.0095
N3 1.6230 -0.6086 -0.0410   1.6504 0.5300 -0.0409
O4 0.4893 1.3812 -0.0055   0.4224 -1.4031 -0.0055
C5 -2.0065 -0.0471 0.0188   -2.0019 0.1433 0.0188
H6 -0.7369 -1.7459 -0.0656   -0.6523 1.7793 -0.0656
H7 2.4940 -0.1121 0.1075   2.4965 -0.0078 0.1076
H8 1.6073 -1.5970 0.1765   1.6821 1.5180 0.1765
H9 -2.0601 1.0397 0.0573   -2.1077 -0.9396 0.0572
H10 -2.9376 -0.6107 0.0124   -2.9049 0.7511 0.0123
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.5098 2.4353 2.4186 1.3423 1.0917 3.3529 2.6025 2.1085 2.1267
C2 1.5098 1.3859 1.2313 2.4783 2.2450 2.0504 2.0964 2.6769 3.4855
N3 2.4353 1.3859 2.2904 3.6731 2.6198 1.0135 1.0121 4.0364 4.5610
O4 2.4186 1.2313 2.2904 2.8756 3.3595 2.5023 3.1863 2.5730 3.9638
C5 1.3423 2.4783 3.6731 2.8756 2.1224 4.5018 3.9353 1.0888 1.0885
H6 1.0917 2.2450 2.6198 3.3595 2.1224 3.6247 2.3614 3.0864 2.4774
H7 3.3529 2.0504 1.0135 2.5023 4.5018 3.6247 1.7309 4.6978 5.4553
H8 2.6025 2.0964 1.0121 3.1863 3.9353 2.3614 1.7309 4.5185 4.6536
H9 2.1085 2.6769 4.0364 2.5730 1.0888 3.0864 4.6978 4.5185 1.8698
H10 2.1267 3.4855 4.5610 3.9638 1.0885 2.4774 5.4553 4.6536 1.8698
Maximum atom distance is 5.4553Å between atoms H7 and H10.
picture of Acrylamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 114.426 C1 C2 O4 123.536
C2 C1 C5 120.550 N3 C2 O4 122.016
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 119.932 C1 C5 H10 121.714
C2 C1 H6 118.413 C2 N3 H7 116.569
C2 N3 H8 121.119 C5 C1 H6 121.037
H7 N3 H8 117.406 H9 C5 H10 118.354

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