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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/CEP-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8022 -0.6726 -0.0075   0.7816 0.6964 -0.0075
C2 -0.4785 0.1293 -0.0024   -0.4744 -0.1436 -0.0024
N3 -1.6286 -0.6356 -0.0183   -1.6470 0.5863 -0.0183
O4 -0.5118 1.3617 -0.0011   -0.4706 -1.3765 -0.0011
C5 1.9952 -0.0220 0.0070   1.9936 0.0819 0.0070
H6 0.7488 -1.7664 -0.0247   0.6954 1.7881 -0.0247
H7 -2.5170 -0.1531 0.0615   -2.5205 0.0774 0.0616
H8 -1.6094 -1.6417 0.0921   -1.6580 1.5926 0.0922
H9 2.0124 1.0717 0.0207   2.0437 -1.0107 0.0207
H10 2.9466 -0.5635 0.0045   2.9284 0.6518 0.0045
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.5111 2.4311 2.4218 1.3590 1.0952 3.3603 2.6009 2.1233 2.1473
C2 1.5111 1.3813 1.2329 2.4783 2.2585 2.0590 2.1034 2.6633 3.4945
N3 2.4311 1.3813 2.2884 3.6755 2.6326 1.0142 1.0123 4.0216 4.5759
O4 2.4218 1.2329 2.2884 2.8635 3.3727 2.5139 3.1990 2.5409 3.9582
C5 1.3590 2.4783 3.6755 2.8635 2.1442 4.5145 3.9527 1.0939 1.0948
H6 1.0952 2.2585 2.6326 3.3727 2.1442 3.6436 2.3644 3.1070 2.5057
H7 3.3603 2.0590 1.0142 2.5139 4.5145 3.6436 1.7437 4.6923 5.4794
H8 2.6009 2.1034 1.0123 3.1990 3.9527 2.3644 1.7437 4.5261 4.6827
H9 2.1233 2.6633 4.0216 2.5409 1.0939 3.1070 4.6923 4.5261 1.8833
H10 2.1473 3.4945 4.5759 3.9582 1.0948 2.5057 5.4794 4.6827 1.8833
Maximum atom distance is 5.4794Å 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 114.314 C1 C2 O4 123.602
C2 C1 C5 119.332 N3 C2 O4 122.079
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 119.516 C1 C5 H10 121.741
C2 C1 H6 119.260 C2 N3 H7 117.713
C2 N3 H8 122.231 C5 C1 H6 121.407
H7 N3 H8 118.740 H9 C5 H10 118.743

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