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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

mPW1PW91/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7975 -0.6493 0.0002   0.8167 0.6250 0.0003
C2 -0.4757 0.1277 0.0001   -0.4794 -0.1133 0.0001
N3 -1.6059 -0.6355 -0.0004   -1.5861 0.6835 -0.0004
O4 -0.5162 1.3482 0.0001   -0.5566 -1.3320 0.0001
C5 1.9752 -0.0245 -0.0001   1.9750 -0.0350 -0.0001
H6 0.7413 -1.7397 0.0006   0.7934 1.7166 0.0007
H7 -2.4991 -0.1702 0.0005   -2.4929 0.2454 0.0004
H8 -1.5770 -1.6404 0.0004   -1.5268 1.6872 0.0004
H9 2.0095 1.0646 -0.0007   1.9766 -1.1247 -0.0007
H10 2.9143 -0.5750 -0.0001   2.9303 0.4870 -0.0001
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.4916 2.4035 2.3908 1.3331 1.0919 3.3313 2.5730 2.0991 2.1181
C2 1.4916 1.3637 1.2211 2.4556 2.2290 2.0452 2.0830 2.6560 3.4621
N3 2.4035 1.3637 2.2633 3.6329 2.5940 1.0071 1.0054 3.9952 4.5206
O4 2.3908 1.2211 2.2633 2.8446 3.3341 2.4975 3.1713 2.5416 3.9328
C5 1.3331 2.4556 3.6329 2.8446 2.1129 4.4767 3.9024 1.0897 1.0885
H6 1.0919 2.2290 2.5940 3.3341 2.1129 3.6005 2.3204 3.0778 2.4654
H7 3.3313 2.0452 1.0071 2.4975 4.4767 3.6005 1.7355 4.6747 5.4285
H8 2.5730 2.0830 1.0054 3.1713 3.9024 2.3204 1.7355 4.4922 4.6159
H9 2.0991 2.6560 3.9952 2.5416 1.0897 3.0778 4.6747 4.4922 1.8727
H10 2.1181 3.4621 4.5206 3.9328 1.0885 2.4654 5.4285 4.6159 1.8727
Maximum atom distance is 5.4285Å 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 114.577 C1 C2 O4 123.294
C2 C1 C5 120.661 N3 C2 O4 122.130
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 119.751 C1 C5 H10 121.677
C2 C1 H6 118.444 C2 N3 H7 118.456
C2 N3 H8 122.379 C5 C1 H6 120.895
H7 N3 H8 119.165 H9 C5 H10 118.572

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