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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

CID/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7152 -0.8129 0.0000   -0.8662 0.6497 0.0000
O2 0.2337 -1.9462 0.0000   -1.9584 0.0814 0.0000
N3 0.0000 0.3505 0.0000   0.3494 0.0273 0.0000
C4 -1.4677 0.3011 0.0000   0.4145 -1.4397 0.0000
C5 0.6470 1.6626 0.0000   1.6072 0.7745 0.0000
H6 1.7963 -0.6304 0.0000   -0.7683 1.7417 0.0000
H7 -1.7539 -0.7481 0.0000   -0.6092 -1.8069 0.0000
H8 -1.8684 0.7939 0.8896   0.9370 -1.8009 0.8896
H9 -1.8684 0.7939 -0.8896   0.9370 -1.8009 -0.8896
H10 1.7305 1.5327 0.0000   1.3933 1.8446 0.0000
H11 0.3637 2.2347 -0.8877   2.1996 0.5366 -0.8877
H12 0.3637 2.2347 0.8877   2.1996 0.5366 0.8877
Atom - Atom Distances (Å)
  C1 O2 N3 C4 C5 H6 H7 H8 H9 H10 H11 H12
C1 1.2313 1.3657 2.4507 2.4765 1.0964 2.4700 3.1699 3.1699 2.5560 3.1937 3.1937
O2 1.2313 2.3085 2.8186 3.6324 2.0428 2.3208 3.5663 3.5663 3.7872 4.2761 4.2761
N3 1.3657 2.3085 1.4685 1.4630 2.0466 2.0696 2.1164 2.1164 2.0958 2.1144 2.1144
C4 2.4507 2.8186 1.4685 2.5151 3.3942 1.0875 1.0931 1.0931 3.4271 2.8073 2.8073
C5 2.4765 3.6324 1.4630 2.5151 2.5649 3.4024 2.8059 2.8059 1.0912 1.0935 1.0935
H6 1.0964 2.0428 2.0466 3.3942 2.5649 3.5521 4.0311 4.0311 2.1641 3.3240 3.3240
H7 2.4700 2.3208 2.0696 1.0875 3.4024 3.5521 1.7839 1.7839 4.1645 3.7642 3.7642
H8 3.1699 3.5663 2.1164 1.0931 2.8059 4.0311 1.7839 1.7792 3.7801 3.1964 2.6567
H9 3.1699 3.5663 2.1164 1.0931 2.8059 4.0311 1.7839 1.7792 3.7801 2.6567 3.1964
H10 2.5560 3.7872 2.0958 3.4271 1.0912 2.1641 4.1645 3.7801 3.7801 1.7745 1.7745
H11 3.1937 4.2761 2.1144 2.8073 1.0935 3.3240 3.7642 3.1964 2.6567 1.7745 1.7755
H12 3.1937 4.2761 2.1144 2.8073 1.0935 3.3240 3.7642 2.6567 3.1964 1.7745 1.7755
Maximum atom distance is 4.2761Å 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 119.654 C1 N3 C5 122.172
O2 C1 N3 125.397 C4 N3 C5 118.174
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H6 122.609 N3 C1 H6 111.994
N3 C4 H7 107.189 N3 C4 H8 110.564
N3 C4 H9 110.564 N3 C5 H10 109.410
N3 C5 H11 110.773 N3 C5 H12 110.773
H7 C4 H8 109.784 H7 C4 H9 109.784
H8 C4 H9 108.942 H10 C5 H11 108.636
H10 C5 H12 108.636 H11 C5 H12 108.555

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