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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

MP2/CEP-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7053 -0.8309 0.0000   -0.8819 0.6404 0.0000
O2 0.2093 -1.9713 0.0000   -1.9815 0.0593 0.0000
N3 0.0000 0.3513 0.0000   0.3503 0.0266 0.0000
C4 -1.4654 0.3455 0.0000   0.4556 -1.4350 0.0000
C5 0.6720 1.6496 0.0000   1.5939 0.7950 0.0000
H6 1.8050 -0.6597 0.0000   -0.7945 1.7499 0.0000
H7 -1.8041 -0.7001 0.0000   -0.5614 -1.8520 0.0000
H8 -1.8468 0.8627 0.9002   1.0002 -1.7761 0.9002
H9 -1.8468 0.8627 -0.9002   1.0002 -1.7761 -0.9002
H10 1.7636 1.4988 0.0000   1.3608 1.8721 0.0000
H11 0.3917 2.2307 -0.8986   2.1947 0.5596 -0.8986
H12 0.3917 2.2307 0.8986   2.1947 0.5596 0.8986
Atom - Atom Distances (Å)
  C1 O2 N3 C4 C5 H6 H7 H8 H9 H10 H11 H12
C1 1.2436 1.3766 2.4690 2.4807 1.1129 2.5129 3.1924 3.1924 2.5587 3.2061 3.2061
O2 1.2436 2.3320 2.8587 3.6503 2.0656 2.3812 3.6151 3.6151 3.8022 4.3009 4.3009
N3 1.3766 2.3320 1.4654 1.4619 2.0689 2.0881 2.1172 2.1172 2.1040 2.1197 2.1197
C4 2.4690 2.8587 1.4654 2.5038 3.4215 1.0991 1.1060 1.1060 3.4287 2.7947 2.7947
C5 2.4807 3.6503 1.4619 2.5038 2.5722 3.4135 2.7881 2.7881 1.1020 1.1063 1.1063
H6 1.1129 2.0656 2.0689 3.4215 2.5722 3.6094 4.0575 4.0575 2.1588 3.3406 3.3406
H7 2.5129 2.3812 2.0881 1.0991 3.4135 3.6094 1.8040 1.8040 4.1908 3.7708 3.7708
H8 3.1924 3.6151 2.1172 1.1060 2.7881 4.0575 1.8040 1.8004 3.7748 3.1809 2.6234
H9 3.1924 3.6151 2.1172 1.1060 2.7881 4.0575 1.8040 1.8004 3.7748 2.6234 3.1809
H10 2.5587 3.8022 2.1040 3.4287 1.1020 2.1588 4.1908 3.7748 3.7748 1.7959 1.7959
H11 3.2061 4.3009 2.1197 2.7947 1.1063 3.3406 3.7708 3.1809 2.6234 1.7959 1.7973
H12 3.2061 4.3009 2.1197 2.7947 1.1063 3.3406 3.7708 2.6234 3.1809 1.7959 1.7973
Maximum atom distance is 4.3009Å 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 120.598 C1 N3 C5 121.812
O2 C1 N3 125.670 C4 N3 C5 117.590
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 122.356 N3 C1 H6 111.974
N3 C4 H7 108.174 N3 C4 H8 110.057
N3 C4 H9 110.057 N3 C5 H10 109.499
N3 C5 H11 110.494 N3 C5 H12 110.494
H7 C4 H8 109.792 H7 C4 H9 109.792
H8 C4 H9 108.960 H10 C5 H11 108.835
H10 C5 H12 108.835 H11 C5 H12 108.643

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