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Geometry for C3H7NO (dimethylformamide) 1A' CS

1910171554
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3 INChIKey=ZMXDDKWLCZADIW-UHFFFAOYSA-N

HF/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7150 -0.8151 0.0000   -0.8716 0.6449 0.0000
O2 0.2288 -1.9531 0.0000   -1.9653 0.0659 0.0000
N3 0.0000 0.3438 0.0000   0.3426 0.0285 0.0000
C4 -1.4669 0.3215 0.0000   0.4421 -1.4351 0.0000
C5 0.6538 1.6532 0.0000   1.5932 0.7888 0.0000
H6 1.7913 -0.6654 0.0000   -0.8117 1.7299 0.0000
H7 -1.8062 -0.7027 0.0000   -0.5504 -1.8583 0.0000
H8 -1.8512 0.8249 0.8834   0.9757 -1.7763 0.8834
H9 -1.8512 0.8249 -0.8834   0.9757 -1.7763 -0.8834
H10 1.7312 1.5352 0.0000   1.3863 1.8526 0.0000
H11 0.3719 2.2218 -0.8819   2.1832 0.5550 -0.8819
H12 0.3719 2.2218 0.8819   2.1832 0.5550 0.8819
Atom - Atom Distances (Å)
  C1 O2 N3 C4 C5 H6 H7 H8 H9 H10 H11 H12
C1 1.2375 1.3617 2.4602 2.4690 1.0866 2.5237 3.1710 3.1710 2.5606 3.1809 3.1809
O2 1.2375 2.3082 2.8371 3.6312 2.0248 2.3884 3.5810 3.5810 3.7981 4.2694 4.2694
N3 1.3617 2.3082 1.4670 1.4636 2.0560 2.0874 2.1068 2.1068 2.1016 2.1078 2.1078
C4 2.4602 2.8371 1.4670 2.5042 3.4044 1.0789 1.0869 1.0869 3.4207 2.7875 2.7875
C5 2.4690 3.6312 1.4636 2.5042 2.5825 3.4062 2.7823 2.7823 1.0838 1.0865 1.0865
H6 1.0866 2.0248 2.0560 3.4044 2.5825 3.5977 4.0335 4.0335 2.2014 3.3359 3.3359
H7 2.5237 2.3884 2.0874 1.0789 3.4062 3.5977 1.7652 1.7652 4.1859 3.7516 3.7516
H8 3.1710 3.5810 2.1068 1.0869 2.7823 4.0335 1.7652 1.7667 3.7574 3.1637 2.6255
H9 3.1710 3.5810 2.1068 1.0869 2.7823 4.0335 1.7652 1.7667 3.7574 2.6255 3.1637
H10 2.5606 3.7981 2.1016 3.4207 1.0838 2.2014 4.1859 3.7574 3.7574 1.7598 1.7598
H11 3.1809 4.2694 2.1078 2.7875 1.0865 3.3359 3.7516 3.1637 2.6255 1.7598 1.7638
H12 3.1809 4.2694 2.1078 2.7875 1.0865 3.3359 3.7516 2.6255 3.1637 1.7598 1.7638
Maximum atom distance is 4.2694Å between atoms O2 and H11.
picture of dimethylformamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 C4 120.804 C1 N3 C5 121.790
O2 C1 N3 125.188 C4 N3 C5 117.406
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 121.056 N3 C1 H6 113.756
N3 C4 H7 109.201 N3 C4 H8 110.271
N3 C4 H9 110.271 N3 C5 H10 110.288
N3 C5 H11 110.625 N3 C5 H12 110.625
H7 C4 H8 109.177 H7 C4 H9 109.177
H8 C4 H9 108.721 H10 C5 H11 108.354
H10 C5 H12 108.354 H11 C5 H12 108.521

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