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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

CCD/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8006 -0.6542 -0.0304   0.7802 0.6784 -0.0305
C2 -0.4771 0.1276 -0.0084   -0.4729 -0.1422 -0.0084
N3 -1.6160 -0.6385 -0.0328   -1.6348 0.5887 -0.0328
O4 -0.5123 1.3480 -0.0090   -0.4707 -1.3630 -0.0090
C5 1.9769 -0.0249 0.0259   1.9752 0.0855 0.0259
H6 0.7415 -1.7405 -0.0965   0.6878 1.7624 -0.0965
H7 -2.4843 -0.1480 0.1379   -2.4876 0.0718 0.1380
H8 -1.5834 -1.6097 0.2420   -1.6320 1.5605 0.2420
H9 2.0138 1.0598 0.0845   2.0454 -0.9976 0.0845
H10 2.9190 -0.5668 0.0115   2.9003 0.6560 0.0115
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.4981 2.4167 2.3944 1.3352 1.0899 3.3279 2.5828 2.1030 2.1206
C2 1.4981 1.3728 1.2209 2.4590 2.2322 2.0313 2.0749 2.6612 3.4664
N3 2.4167 1.3728 2.2726 3.6454 2.6031 1.0118 1.0099 4.0092 4.5358
O4 2.3944 1.2209 2.2726 2.8429 3.3344 2.4796 3.1557 2.5442 3.9295
C5 1.3352 2.4590 3.6454 2.8429 2.1177 4.4643 3.9031 1.0869 1.0869
H6 1.0899 2.2322 2.6031 3.3344 2.1177 3.6051 2.3530 3.0811 2.4761
H7 3.3279 2.0313 1.0118 2.4796 4.4643 3.6051 1.7202 4.6577 5.4210
H8 2.5828 2.0749 1.0099 3.1557 3.9031 2.3530 1.7202 4.4823 4.6274
H9 2.1030 2.6612 4.0092 2.5442 1.0869 3.0811 4.6577 4.4823 1.8630
H10 2.1206 3.4664 4.5358 3.9295 1.0869 2.4761 5.4210 4.6274 1.8630
Maximum atom distance is 5.4210Å 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 114.587 C1 C2 O4 123.111
C2 C1 C5 120.317 N3 C2 O4 122.268
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 120.167 C1 C5 H10 121.875
C2 C1 H6 118.344 C2 N3 H7 116.004
C2 N3 H8 120.335 C5 C1 H6 121.339
H7 N3 H8 116.614 H9 C5 H10 117.958

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