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Geometry for C4H7NO (Methacrylamide) 1A C1

1910171554
InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6) INChIKey=FQPSGWSUVKBHSU-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)
N1 -1.6669 0.7396 0.2742   1.7332 0.5761 0.2549
H2 -2.6306 0.4481 0.3193   2.6637 0.1917 0.3020
H3 -1.3967 1.5755 0.7641   1.5494 1.4433 0.7303
C4 1.6656 -0.9057 0.2707   -1.7454 -0.7317 0.2930
H5 1.4817 -1.3501 1.2581   -1.6012 -1.1743 1.2877
H6 1.5283 -1.7097 -0.4626   -1.6920 -1.5584 -0.4259
H7 2.6983 -0.5443 0.2294   -2.7377 -0.2708 0.2485
C8 1.0641 1.4592 -0.2808   -0.9163 1.5519 -0.3039
H9 0.3408 2.2308 -0.5401   -0.1217 2.2435 -0.5798
H10 2.1149 1.7467 -0.2962   -1.9336 1.9415 -0.3210
C11 -0.7452 -0.2164 -0.0406   0.7200 -0.2896 -0.0392
O12 -1.0696 -1.3510 -0.3580   0.9291 -1.4562 -0.3368
C13 0.6969 0.2018 -0.0039   -0.6736 0.2696 -0.0052
Atom - Atom Distances (Å)
  N1 H2 H3 C4 H5 H6 H7 C8 H9 H10 C11 O12 C13
N1 1.0079 1.0059 3.7165 3.9049 4.0928 4.5503 2.8782 2.6301 3.9549 1.3647 2.2643 2.4401
H2 1.0079 1.7296 4.5048 4.5855 4.7502 5.4213 3.8773 3.5701 4.9583 2.0312 2.4763 3.3522
H3 1.0059 1.7296 3.9721 4.1338 4.5665 4.6421 2.6760 2.2691 3.6721 2.0695 3.1513 2.6191
C4 3.7165 4.5048 3.9721 1.0983 1.0968 1.0949 2.5017 3.5000 2.7493 2.5267 2.8416 1.4968
H5 3.9049 4.5855 4.1338 1.0983 1.7585 1.7854 3.2302 4.1663 3.5223 2.8162 3.0201 2.1487
H6 4.0928 4.7502 4.5665 1.0968 1.7585 1.7905 3.2078 4.1163 3.5098 2.7526 2.6246 2.1344
H7 4.5503 5.4213 4.6421 1.0949 1.7854 1.7905 2.6353 3.7217 2.4219 3.4696 3.8978 2.1487
C8 2.8782 3.8773 2.6760 2.5017 3.2302 3.2078 2.6353 1.0890 1.0895 2.4777 3.5293 1.3388
H9 2.6301 3.5701 2.2691 3.5000 4.1663 4.1163 3.7217 1.0890 1.8551 2.7235 3.8538 2.1286
H10 3.9549 4.9583 3.6721 2.7493 3.5223 3.5098 2.4219 1.0895 1.8551 3.4784 4.4430 2.1173
C11 1.3647 2.0312 2.0695 2.5267 2.8162 2.7526 3.4696 2.4777 2.7235 3.4784 1.2220 1.5020
O12 2.2643 2.4763 3.1513 2.8416 3.0201 2.6246 3.8978 3.5293 3.8538 4.4430 1.2220 2.3785
C13 2.4401 3.3522 2.6191 1.4968 2.1487 2.1344 2.1487 1.3388 2.1286 2.1173 1.5020 2.3785
Maximum atom distance is 5.4213Å between atoms H2 and H7.
picture of Methacrylamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 118.387 O5 C4 N6 106.467
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 H11 H12 122.075 C1 H11 H13 116.598
C2 C1 H11 116.968 C3 C1 H11 120.871
C4 H13 H8 123.730 C4 H13 H11 114.827
O5 C4 H7 108.990 O5 C4 H13 110.852
N6 C4 H7 109.560 N6 C4 H13 109.799
H7 C4 H13 111.058 H8 H13 H11 121.319
H9 H8 H10 116.760 H9 H8 H13 122.173
H10 H8 H13 121.021 H12 H11 H13 121.317

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