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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

PBEPBE/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7997 -0.6605 -0.0101   -0.8192 0.6361 -0.0101
C2 0.4769 0.1290 -0.0027   0.4805 -0.1146 -0.0028
N3 1.6188 -0.6403 -0.0256   1.5988 0.6888 -0.0256
O4 0.5112 1.3622 -0.0009   0.5520 -1.3462 -0.0009
C5 -1.9845 -0.0268 0.0089   -1.9844 -0.0331 0.0090
H6 -0.7453 -1.7625 -0.0322   -0.7981 1.7392 -0.0322
H7 2.5126 -0.1589 0.0799   2.5067 0.2346 0.0798
H8 1.5914 -1.6473 0.1287   1.5410 1.6945 0.1287
H9 -1.9975 1.0744 0.0273   -1.9642 -1.1341 0.0273
H10 -2.9388 -0.5722 0.0055   -2.9547 0.4834 0.0055
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.5010 2.4187 2.4104 1.3438 1.1035 3.3512 2.5904 2.1086 2.1410
C2 1.5010 1.3771 1.2337 2.4663 2.2522 2.0576 2.1011 2.6489 3.4869
N3 2.4187 1.3771 2.2886 3.6553 2.6169 1.0206 1.0191 4.0026 4.5582
O4 2.4104 1.2337 2.2886 2.8561 3.3680 2.5152 3.2001 2.5252 3.9553
C5 1.3438 2.4663 3.6553 2.8561 2.1331 4.4996 3.9278 1.1014 1.0992
H6 1.1035 2.2522 2.6169 3.3680 2.1331 3.6328 2.3451 3.1015 2.4959
H7 3.3512 2.0576 1.0206 2.5152 4.4996 3.6328 1.7510 4.6759 5.4675
H8 2.5904 2.1011 1.0191 3.2001 3.9278 2.3451 1.7510 4.5053 4.6576
H9 2.1086 2.6489 4.0026 2.5252 1.1014 3.1015 4.6759 4.5053 1.8968
H10 2.1410 3.4869 4.5582 3.9553 1.0992 2.4959 5.4675 4.6576 1.8968
Maximum atom distance is 5.4675Å 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 114.285 C1 C2 O4 123.330
C2 C1 C5 120.110 N3 C2 O4 122.372
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 118.828 C1 C5 H10 122.099
C2 C1 H6 118.911 C2 N3 H7 117.450
C2 N3 H8 121.815 C5 C1 H6 120.978
H7 N3 H8 118.292 H9 C5 H10 119.073

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