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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

B1B95/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7938 -0.6560 0.0001   0.8130 0.6320 0.0001
C2 -0.4737 0.1295 0.0000   -0.4774 -0.1152 0.0000
N3 -1.6051 -0.6266 -0.0004   -1.5856 0.6743 -0.0005
O4 -0.4997 1.3435 0.0001   -0.5397 -1.3280 0.0001
C5 1.9615 -0.0282 -0.0001   1.9615 -0.0305 0.0000
H6 0.7393 -1.7412 0.0002   0.7910 1.7184 0.0002
H7 -2.4934 -0.1574 0.0006   -2.4876 0.2319 0.0005
H8 -1.5888 -1.6292 0.0012   -1.5394 1.6760 0.0011
H9 1.9831 1.0558 -0.0002   1.9507 -1.1146 -0.0001
H10 2.9038 -0.5620 -0.0001   2.9193 0.4750 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.4911 2.3990 2.3814 1.3258 1.0866 3.3248 2.5736 2.0844 2.1122
C2 1.4911 1.3607 1.2144 2.4403 2.2296 2.0400 2.0823 2.6257 3.4476
N3 2.3990 1.3607 2.2590 3.6164 2.5959 1.0046 1.0028 3.9630 4.5094
O4 2.3814 1.2144 2.2590 2.8177 3.3243 2.4955 3.1659 2.4995 3.9007
C5 1.3258 2.4403 3.6164 2.8177 2.1044 4.4568 3.8946 1.0842 1.0830
H6 1.0866 2.2296 2.5959 3.3243 2.1044 3.5998 2.3308 3.0611 2.4649
H7 3.3248 2.0400 1.0046 2.4955 4.4568 3.5998 1.7275 4.6380 5.4124
H8 2.5736 2.0823 1.0028 3.1659 3.8946 2.3308 1.7275 4.4685 4.6176
H9 2.0844 2.6257 3.9630 2.4995 1.0842 3.0611 4.6380 4.4685 1.8615
H10 2.1122 3.4476 4.5094 3.9007 1.0830 2.4649 5.4124 4.6176 1.8615
Maximum atom distance is 5.4124Å 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 114.462 C1 C2 O4 123.012
C2 C1 C5 119.952 N3 C2 O4 122.526
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 119.404 C1 C5 H10 122.205
C2 C1 H6 118.913 C2 N3 H7 118.410
C2 N3 H8 122.822 C5 C1 H6 121.135
H7 N3 H8 118.768 H9 C5 H10 118.391

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